Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate

CAS 155377-19-8  ·  C7H7F3N2O2  ·  MW 208.14 g/mol

Loading molecule...
3D model Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate, CAS 155377-19-8, molecular formula C7H7F3N2O2, molar mass 208.14 g/mol
About Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate

Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate is a chemical compound registered under number CAS 155377-19-8, with the molecular formula C7H7F3N2O2, and a molar mass of 208.14 g/mol.

The molecule contains 21 atoms connected by 21 chemical bonds. The full systematic IUPAC name of this compound is ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate. 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 = 1.4 (positive value, a lipophilic compound), polar surface area PSA = 55 Ų, 1 donors and 6 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.

Physicochemical properties
Molecular formulaC7H7F3N2O2
Masa molowa208.14 g/mol
IUPACethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)C1=C(NN=C1)C(F)(F)F
InChIKeyVYXIHSAEOXPAEY-UHFFFAOYSA-N
logP (XLogP3)1.4
PSA55 Ų
HBD / HBA1 / 6
PubChem CIDCID 596095 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

20 articles · 10 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (20 articles)

1961: 1 articles19611999: 1 articles2006: 2 articles2011: 1 articles2020: 6 articles2021: 1 articles20212022: 1 articles2023: 1 articles2024: 4 articles2025: 1 articles2026: 1 articles2026

Bar height = number of articles per year. Hover dla szczegółów.

F. Polack, Stephen J. Thomas, N. Kitchin et al. (2020) · New England Journal of Medicine
AI Summary
A two-dose regimen of BNT162b2 conferred 95% protection against Covid-19 in persons 16 years of age or older and safety over a median of 2 months was similar to that of other viral vaccines.
Cytowania: 11339Influential: 635Open AccessDOI ↗PubMed ↗PDF ↗
Faizan Ahmed, Syed Ahmad Chan Bukhari, Fazel Keshtkar (2020) · Digit. Gov. Res. Pract.
AI Summary
Deep convolutional neural networks on chest X-rays are applied and an average classification accuracy of 90.64% and F1-Score of 89.8% are produced after performing 5-fold cross-validation on a multi-class dataset consisting of COVID-19, Viral Pneumonia, and normal X-ray images.
Cytowania: 20Influential: 1Open AccessDOI ↗PDF ↗
(2011) · Musing
Cytowania: 3$ PaywallDOI ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Data sources
Related molecules
—
License & Provenance

MolGod 3D molecular model
Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate — CAS 155377-19-8

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate (CAS 155377-19-8) — License & Provenance

Source:
Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate (CAS 155377-19-8) — MolGod molecule record

Source data: PubChem CID 596095

STL: Download 3D model (427 KB)

SHA-256: 43b777e9d6a840904896708e53625cb753710c288c5916c9e1970ce417e77ff2

Wikimedia Commons: not published yet

Source data: PubChem CID 596095

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.