1-(difluoromethyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

C11H8F3N3O — CID 86721236

IUPAC1-(difluoromethyl)-3-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESC1=CC(=CC=C1C2=NN(C=C2C(=O)N)C(F)F)F
InChIInChI=1S/C11H8F3N3O/c12-7-3-1-6(2-4-7)9-8(10(15)18)5-17(16-9)11(13)14/h1-5,11H,(H2,15,18)
InChIKeyCJAAXMBIJJLZSX-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.70
Rot. Bonds3

About 1-(difluoromethyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

1-(difluoromethyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 86721236) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-(4-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID86721236
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name1-(difluoromethyl)-3-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESC1=CC(=CC=C1C2=NN(C=C2C(=O)N)C(F)F)F
InChIInChI=1S/C11H8F3N3O/c12-7-3-1-6(2-4-7)9-8(10(15)18)5-17(16-9)11(13)14/h1-5,11H,(H2,15,18)
InChIKeyCJAAXMBIJJLZSX-UHFFFAOYSA-N
XLogP1.70
TPSA60.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity308

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(difluoromethyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide 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 1-(difluoromethyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 1-(difluoromethyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 86721236) is 1-(difluoromethyl)-3-(4-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is C1=CC(=CC=C1C2=NN(C=C2C(=O)N)C(F)F)F.
What is the InChIKey of 1-(difluoromethyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is CJAAXMBIJJLZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-7-3-1-6(2-4-7)9-8(10(15)18)5-17(16-9)11(13)14/h1-5,11H,(H2,15,18).
What are the key properties of 1-(difluoromethyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
1-(difluoromethyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 255.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86721236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).