4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide

C16H13FN4O — CID 24794823

IUPAC4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1-c1cc(Cc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C16H13FN4O/c17-11-3-1-10(2-4-11)7-12-8-15(21-20-12)13-5-6-19-9-14(13)16(18)22/h1-6,8-9H,7H2,(H2,18,22)(H,20,21)
InChIKeyNSBIUDRVSOVMCG-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.30
Rot. Bonds4

About 4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide

4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 24794823) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID24794823
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1-c1cc(Cc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C16H13FN4O/c17-11-3-1-10(2-4-11)7-12-8-15(21-20-12)13-5-6-19-9-14(13)16(18)22/h1-6,8-9H,7H2,(H2,18,22)(H,20,21)
InChIKeyNSBIUDRVSOVMCG-UHFFFAOYSA-N
XLogP2.30
TPSA84.66 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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Safimaltib
CID 134609793
1-Phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 877232
2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
OT-82
CID 118203189
N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide
CID 10598093
Indenopyrazole 13r
CID 5329641
N-[4-(5-Ethyl-3-Pyridin-3-Yl-1h-Pyrazol-1-Yl)phenyl]pyridine-3-Carboxamide
CID 9820664
Pyrrolopyridine, 24
CID 16720095
Pyrrolopyridine, 25
CID 16720200
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide (CID 24794823) is 4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide is NC(=O)c1cnccc1-c1cc(Cc2ccc(F)cc2)[nH]n1.
What is the InChIKey of 4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is NSBIUDRVSOVMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-11-3-1-10(2-4-11)7-12-8-15(21-20-12)13-5-6-19-9-14(13)16(18)22/h1-6,8-9H,7H2,(H2,18,22)(H,20,21).
What are the key properties of 4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide?
4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 24794823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).