5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide

C16H13FN4O — CID 154693101

IUPAC5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(Cc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C16H13FN4O/c17-12-6-4-11(5-7-12)9-13-10-14(21-20-13)16(22)19-15-3-1-2-8-18-15/h1-8,10H,9H2,(H,20,21)(H,18,19,22)
InChIKeyGQWQQPCPLZBGRQ-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.79
Rot. Bonds4

About 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide

5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 154693101) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide
PubChem CID154693101
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(Cc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C16H13FN4O/c17-12-6-4-11(5-7-12)9-13-10-14(21-20-13)16(22)19-15-3-1-2-8-18-15/h1-8,10H,9H2,(H,20,21)(H,18,19,22)
InChIKeyGQWQQPCPLZBGRQ-UHFFFAOYSA-N
XLogP2.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]ethanone
CID 115093128
1-[(4-fluorophenyl)methyl]-6-oxo-N-pyridin-2-ylpyridazine-3-carboxamide
CID 30859072
5-[(4-fluorophenyl)methyl]-N-(4-hydroxycyclohexyl)-1H-pyrazole-3-carboxamide
CID 169082724
5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide
CID 154693152
4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 69138084
5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide
CID 154693127
5-[(4-fluorophenyl)methyl]-N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-pyrazole-3-carboxamide
CID 118557045
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide
CID 53063672
4-[5-[(4-fluorophenyl)methyl]furan-2-yl]-2-hydroxy-4-oxo-N-pyridin-2-ylbut-2-enamide
CID 69138597
N-(3-hydroxy-2-pyridinyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47293208

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide (CID 154693101) is 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide is O=C(Nc1ccccn1)c1cc(Cc2ccc(F)cc2)[nH]n1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is GQWQQPCPLZBGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-12-6-4-11(5-7-12)9-13-10-14(21-20-13)16(22)19-15-3-1-2-8-18-15/h1-8,10H,9H2,(H,20,21)(H,18,19,22).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide?
5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 154693101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).