5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile

CAS 1082745-49-0  ·  C9H12N4O  ·  MW 192.22 g/mol

Full record: 5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile — Safety Data Sheet →

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3D model 5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile, CAS 1082745-49-0, molecular formula C9H12N4O, molar mass 192.22 g/mol

Model views

  • 5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile (CAS 1082745-49-0) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile (CAS 1082745-49-0) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile (CAS 1082745-49-0) – 2D structure, MolGod Viewer
    2D structure

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5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile, C9H12N4O, CAS 1082745-49-0 - 3D molecular model
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5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile (CAS 1082745-49-0), C9H12N4O - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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About 5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile

5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile is a chemical compound registered under number CAS 1082745-49-0, with the molecular formula C9H12N4O, and a molar mass of 192.22 g/mol.

The molecule contains 26 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is 5-amino-1-(oxan-4-yl)pyrazole-4-carbonitrile. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 0.5 (positive value, a lipophilic compound), polar surface area PSA = 76.9 Ų, 1 donors and 4 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC9H12N4O
Molar mass192.22 g/mol
IUPAC5-amino-1-(oxan-4-yl)pyrazole-4-carbonitrile
SMILESC1COCCC1N2C(=C(C=N2)C#N)N
InChIKeyUMPNYNSSLRKJHT-UHFFFAOYSA-N
logP (XLogP3)0.5
PSA76.9 Ų
HBD / HBA1 / 4
PubChem CIDCID 42609130 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Harmful if swallowed

Scientific literature

Brak articles naukowych dla CAS 1082745-49-0 w PubMed / OpenAlex / Semantic Scholar.

Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile · 1082745-49-0
InChIKey
UMPNYNSSLRKJHT-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile (CAS 1082745-49-0)
License & provenance record
5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile (CAS 1082745-49-0) →
MolGod molecule record
5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile →
Source data
PubChem CID 42609130 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
eb121aeff0cc833776d7bcf3fbff732bcde134c0b5eaf6f7f94bae7b756e9b8c
MD5 (STL)
7a41a83b29e71cdbb17cc90ee03527a6
MolGod Identification Number
MG_537-937-092-35
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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