[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate

C14H11F3N2O2 — CID 174681013

IUPAC[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate
SMILESO=C(On1nc(C(F)(F)F)cc1C1CC1)c1ccccc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)12-8-11(9-6-7-9)19(18-12)21-13(20)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyZHYBGHFQSNIINE-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.05
Rot. Bonds3

About [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate

[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate (PubChem CID 174681013) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate.

Molecular Properties

Compound Name[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate
PubChem CID174681013
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate
SMILESO=C(On1nc(C(F)(F)F)cc1C1CC1)c1ccccc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)12-8-11(9-6-7-9)19(18-12)21-13(20)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyZHYBGHFQSNIINE-UHFFFAOYSA-N
XLogP3.05
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate?
The IUPAC name of [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate (CID 174681013) is [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate.
What is the SMILES notation for [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate?
The canonical SMILES for [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate is O=C(On1nc(C(F)(F)F)cc1C1CC1)c1ccccc1.
What is the InChIKey of [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate?
The InChIKey is ZHYBGHFQSNIINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)12-8-11(9-6-7-9)19(18-12)21-13(20)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2.
What are the key properties of [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate?
[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate has a molecular weight of 296.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl] benzoate is sourced from PubChem (CID 174681013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).