5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide

C6H7F2N3O — CID 68918114

IUPAC5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C(F)F
InChIInChI=1S/C6H7F2N3O/c1-9-6(12)3-2-10-11-4(3)5(7)8/h2,5H,1H3,(H,9,12)(H,10,11)
InChIKeyIRFXNBXHXGIDEF-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.71
Rot. Bonds2

About 5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide

5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 68918114) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID68918114
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C(F)F
InChIInChI=1S/C6H7F2N3O/c1-9-6(12)3-2-10-11-4(3)5(7)8/h2,5H,1H3,(H,9,12)(H,10,11)
InChIKeyIRFXNBXHXGIDEF-UHFFFAOYSA-N
XLogP0.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(difluoromethyl)-N-methyl-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 5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide (CID 68918114) is 5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is IRFXNBXHXGIDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c1-9-6(12)3-2-10-11-4(3)5(7)8/h2,5H,1H3,(H,9,12)(H,10,11).
What are the key properties of 5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide?
5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 175.14 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 68918114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).