2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide

C12H10F3N3O — CID 19506738

IUPAC2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccnn1C(F)F
InChIInChI=1S/C12H10F3N3O/c13-9-3-1-8(2-4-9)7-16-11(19)10-5-6-17-18(10)12(14)15/h1-6,12H,7H2,(H,16,19)
InChIKeyXFABEFICTWUDBS-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.35
Rot. Bonds4

About 2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide

2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide (PubChem CID 19506738) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
PubChem CID19506738
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccnn1C(F)F
InChIInChI=1S/C12H10F3N3O/c13-9-3-1-8(2-4-9)7-16-11(19)10-5-6-17-18(10)12(14)15/h1-6,12H,7H2,(H,16,19)
InChIKeyXFABEFICTWUDBS-UHFFFAOYSA-N
XLogP2.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 5303266
N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110851345
2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 136515447
N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159736
N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 113228891
N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9270477
5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 4777142
2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19323782
N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 110467140
5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 35334164
1-ethyl-N-[(4-fluorophenyl)methyl]-6-oxopyridine-2-carboxamide
CID 158947897
N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476046

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide (CID 19506738) is 2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide is O=C(NCc1ccc(F)cc1)c1ccnn1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is XFABEFICTWUDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-9-3-1-8(2-4-9)7-16-11(19)10-5-6-17-18(10)12(14)15/h1-6,12H,7H2,(H,16,19).
What are the key properties of 2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide?
2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 269.23 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19506738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).