1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide

C19H17FN6O2 — CID 47893685

IUPAC1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide
SMILESO=C(NCCCn1nc2ccccn2c1=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN6O2/c20-14-5-3-6-15(13-14)25-12-8-16(22-25)18(27)21-9-4-11-26-19(28)24-10-2-1-7-17(24)23-26/h1-3,5-8,10,12-13H,4,9,11H2,(H,21,27)
InChIKeyRMAZACCFQNXFDA-UHFFFAOYSA-N
MW380.38 g/mol
LogP1.64
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide

1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide (PubChem CID 47893685) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide
PubChem CID47893685
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide
SMILESO=C(NCCCn1nc2ccccn2c1=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN6O2/c20-14-5-3-6-15(13-14)25-12-8-16(22-25)18(27)21-9-4-11-26-19(28)24-10-2-1-7-17(24)23-26/h1-3,5-8,10,12-13H,4,9,11H2,(H,21,27)
InChIKeyRMAZACCFQNXFDA-UHFFFAOYSA-N
XLogP1.64
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 47855978
1-(4-fluorophenyl)-3,5-dimethyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-4-carboxamide
CID 55864296
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide
CID 60524723
2-(3,4-dichlorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
CID 60565783
3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55862871
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55861984
1-[(2R)-butan-2-yl]-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 94796607
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47894388
4-(3-chlorophenyl)-N-[6-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)hexyl]piperazine-1-carboxamide
CID 163409061
3-methyl-4-nitro-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
CID 55864810
1-(2-chlorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-4-carboxamide
CID 49195858

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide (CID 47893685) is 1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide is O=C(NCCCn1nc2ccccn2c1=O)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is RMAZACCFQNXFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c20-14-5-3-6-15(13-14)25-12-8-16(22-25)18(27)21-9-4-11-26-19(28)24-10-2-1-7-17(24)23-26/h1-3,5-8,10,12-13H,4,9,11H2,(H,21,27).
What are the key properties of 1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 47893685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).