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

C12H10F3N3O — CID 19268451

IUPAC1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccn(C(F)F)n1
InChIInChI=1S/C12H10F3N3O/c13-9-3-1-8(2-4-9)7-16-11(19)10-5-6-18(17-10)12(14)15/h1-6,12H,7H2,(H,16,19)
InChIKeyVWUCCGXVOAIBBR-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.35
Rot. Bonds4

About 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide (PubChem CID 19268451) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
PubChem CID19268451
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccn(C(F)F)n1
InChIInChI=1S/C12H10F3N3O/c13-9-3-1-8(2-4-9)7-16-11(19)10-5-6-18(17-10)12(14)15/h1-6,12H,7H2,(H,16,19)
InChIKeyVWUCCGXVOAIBBR-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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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide (CID 19268451) is 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide is O=C(NCc1ccc(F)cc1)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is VWUCCGXVOAIBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-9-3-1-8(2-4-9)7-16-11(19)10-5-6-18(17-10)12(14)15/h1-6,12H,7H2,(H,16,19).
What are the key properties of 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide?
1-(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 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19268451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).