1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide

C12H12F2N4O — CID 64780167

IUPAC1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc(N)cc2C(F)F)n1
InChIInChI=1S/C12H12F2N4O/c1-16-12(19)9-4-5-18(17-9)10-3-2-7(15)6-8(10)11(13)14/h2-6,11H,15H2,1H3,(H,16,19)
InChIKeyYTFOIVWRGZYXLJ-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.75
Rot. Bonds3

About 1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide

1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide (PubChem CID 64780167) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide
PubChem CID64780167
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc(N)cc2C(F)F)n1
InChIInChI=1S/C12H12F2N4O/c1-16-12(19)9-4-5-18(17-9)10-3-2-7(15)6-8(10)11(13)14/h2-6,11H,15H2,1H3,(H,16,19)
InChIKeyYTFOIVWRGZYXLJ-UHFFFAOYSA-N
XLogP1.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-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-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide (CID 64780167) is 1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2ccc(N)cc2C(F)F)n1.
What is the InChIKey of 1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is YTFOIVWRGZYXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-16-12(19)9-4-5-18(17-9)10-3-2-7(15)6-8(10)11(13)14/h2-6,11H,15H2,1H3,(H,16,19).
What are the key properties of 1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide?
1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 64780167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).