1-(3,4-difluoroanilino)pyrazole-4-carboxamide

C10H8F2N4O — CID 144556345

IUPAC1-(3,4-difluoroanilino)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C10H8F2N4O/c11-8-2-1-7(3-9(8)12)15-16-5-6(4-14-16)10(13)17/h1-5,15H,(H2,13,17)
InChIKeyKSTDWFZPWSHBLI-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.14
Rot. Bonds3

About 1-(3,4-difluoroanilino)pyrazole-4-carboxamide

1-(3,4-difluoroanilino)pyrazole-4-carboxamide (PubChem CID 144556345) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is 1-(3,4-difluoroanilino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluoroanilino)pyrazole-4-carboxamide
PubChem CID144556345
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name1-(3,4-difluoroanilino)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C10H8F2N4O/c11-8-2-1-7(3-9(8)12)15-16-5-6(4-14-16)10(13)17/h1-5,15H,(H2,13,17)
InChIKeyKSTDWFZPWSHBLI-UHFFFAOYSA-N
XLogP1.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 831887
N-(3,4-difluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 904015
N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-4-carboxamide
CID 1225444
1-phenyl-1H-pyrazole-4-carbohydrazide
CID 28742734
N-(4-fluorophenyl)(1-methylpyrazol-4-yl)carboxamide
CID 1224614
N-phenyl-1H-pyrazole-4-carboxamide
CID 21184506
1-(4-Fluorophenyl)pyrazole-4-carboxamide
CID 17822723
5-fluoro-1-methyl-N-phenylpyrazole-4-carboxamide
CID 18923864
5-amino-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 20109989
5-amino-N-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 33747252
5-amino-N-(3,4-difluorophenyl)-1H-pyrazole-4-carboxamide
CID 43159531
5-amino-N-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43159548

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluoroanilino)pyrazole-4-carboxamide?
The IUPAC name of 1-(3,4-difluoroanilino)pyrazole-4-carboxamide (CID 144556345) is 1-(3,4-difluoroanilino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3,4-difluoroanilino)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3,4-difluoroanilino)pyrazole-4-carboxamide is NC(=O)c1cnn(Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-(3,4-difluoroanilino)pyrazole-4-carboxamide?
The InChIKey is KSTDWFZPWSHBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O/c11-8-2-1-7(3-9(8)12)15-16-5-6(4-14-16)10(13)17/h1-5,15H,(H2,13,17).
What are the key properties of 1-(3,4-difluoroanilino)pyrazole-4-carboxamide?
1-(3,4-difluoroanilino)pyrazole-4-carboxamide has a molecular weight of 238.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluoroanilino)pyrazole-4-carboxamide is sourced from PubChem (CID 144556345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).