N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide

C16H10F3N3O — CID 94828526

IUPACN-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C16H10F3N3O/c17-11-5-12(18)7-13(6-11)21-16(23)10-8-20-22(9-10)15-4-2-1-3-14(15)19/h1-9H,(H,21,23)
InChIKeyCUOXTLWFHULUEC-UHFFFAOYSA-N
MW317.27 g/mol
LogP3.54
Rot. Bonds3

About N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide

N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 94828526) has the molecular formula C16H10F3N3O and a molecular weight of 317.27 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
PubChem CID94828526
Molecular FormulaC16H10F3N3O
Molecular Weight317.27 g/mol
Exact Mass317.08
IUPAC NameN-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C16H10F3N3O/c17-11-5-12(18)7-13(6-11)21-16(23)10-8-20-22(9-10)15-4-2-1-3-14(15)19/h1-9H,(H,21,23)
InChIKeyCUOXTLWFHULUEC-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-[4-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 95348121
1-ethyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 71921815
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 94828462
N-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 154645599
5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 99821177
1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 134608302
N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 75378606
2-amino-6-chloro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 166234236
1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460687
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 94828484
N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210715
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide (CID 94828526) is N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide is O=C(Nc1cc(F)cc(F)c1)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is CUOXTLWFHULUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O/c17-11-5-12(18)7-13(6-11)21-16(23)10-8-20-22(9-10)15-4-2-1-3-14(15)19/h1-9H,(H,21,23).
What are the key properties of N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide?
N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 94828526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).