3-Methyl-5-pyrazolone (CAS 108-26-9)

3-Methyl-5-pyrazolone (CAS 108-26-9) is a chemical compound registered under number CAS 108-26-9, with the molecular formula C₄H₆N₂O, and a molar mass of 98.10 g/mol.

The molecule contains 13 atoms connected by 13 chemical bonds. The full systematic IUPAC name of this compound is 3-methyl-1,4-dihydropyrazol-5-one. 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 (negative value, a hydrophilic compound), polar surface area PSA = 41.5 Ų, 1 donors and 2 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 widget above may be used for educational, research and commercial purposes.

Wzór sumaryczny	C4H6N2O
Masa molowa	98.10 g/mol
IUPAC	3-methyl-1,4-dihydropyrazol-5-one
SMILES	CC1=NNC(=O)C1
InChIKey	NHLAPJMCARJFOG-UHFFFAOYSA-N
logP (XLogP3)	-0.5
PSA	41.5 Ų
HBD / HBA	1 / 2
PubChem CID	CID 7920 ↗

Sygnał: Uwaga

H400 — Działa bardzo toksycznie na organizmy wodne

H410 — Działa bardzo toksycznie na organizmy wodne, powodując długotrwałe skutki

3-Methyl-2-pyrazolin-5-one · 3-Methyl-5-pyrazolone · 3-Methyl-1H-pyrazol-5(4H)-one · 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl- · 2,4-Dihydro-5-methyl-3H-pyrazol-3-one · NSC 4120 · EINECS 203-565-3 · BRN 0606503 · UNII-P378M0497D · EC 203-565-3 · NSC-4120 · P378M0497D · RefChem:94745 · DTXCID6030106 · 1H-PYRAZOL-3-OL, 5-METHYL-

• 📊 PubChem CID 7920 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność

3-Methyl-5-pyrazolone (CAS 108-26-9) →