3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole

C11H9F3N2 — CID 66015747

IUPAC3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole
SMILESCc1cc(F)ccc1-n1ccc(C(F)F)n1
InChIInChI=1S/C11H9F3N2/c1-7-6-8(12)2-3-10(7)16-5-4-9(15-16)11(13)14/h2-6,11H,1H3
InChIKeyQOXDUBJWNOVPEV-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.26
Rot. Bonds2

About 3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole

3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole (PubChem CID 66015747) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole
PubChem CID66015747
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole
SMILESCc1cc(F)ccc1-n1ccc(C(F)F)n1
InChIInChI=1S/C11H9F3N2/c1-7-6-8(12)2-3-10(7)16-5-4-9(15-16)11(13)14/h2-6,11H,1H3
InChIKeyQOXDUBJWNOVPEV-UHFFFAOYSA-N
XLogP3.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole 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 3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole?
The IUPAC name of 3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole (CID 66015747) is 3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole is Cc1cc(F)ccc1-n1ccc(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole?
The InChIKey is QOXDUBJWNOVPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c1-7-6-8(12)2-3-10(7)16-5-4-9(15-16)11(13)14/h2-6,11H,1H3.
What are the key properties of 3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole?
3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole has a molecular weight of 226.20 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(4-fluoro-2-methylphenyl)pyrazole is sourced from PubChem (CID 66015747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).