N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C17H13ClN6O2 — CID 136521961

IUPACN-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1cc(NC(=O)c2cccn3c(=O)[nH]nc23)nn1-c1ccccc1Cl
InChIInChI=1S/C17H13ClN6O2/c1-10-9-14(22-24(10)13-7-3-2-6-12(13)18)19-16(25)11-5-4-8-23-15(11)20-21-17(23)26/h2-9H,1H3,(H,21,26)(H,19,22,25)
InChIKeyKGXFXLVCDHWBCQ-UHFFFAOYSA-N
MW368.78 g/mol
LogP2.42
Rot. Bonds3

About N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 136521961) has the molecular formula C17H13ClN6O2 and a molecular weight of 368.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID136521961
Molecular FormulaC17H13ClN6O2
Molecular Weight368.78 g/mol
Exact Mass368.08
IUPAC NameN-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1cc(NC(=O)c2cccn3c(=O)[nH]nc23)nn1-c1ccccc1Cl
InChIInChI=1S/C17H13ClN6O2/c1-10-9-14(22-24(10)13-7-3-2-6-12(13)18)19-16(25)11-5-4-8-23-15(11)20-21-17(23)26/h2-9H,1H3,(H,21,26)(H,19,22,25)
InChIKeyKGXFXLVCDHWBCQ-UHFFFAOYSA-N
XLogP2.42
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7602453
4-[[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]carbamoylamino]butanoic acid
CID 122089041
1-[[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089042
1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 35358897
1-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9266857
3-chloro-1-(2-chlorophenyl)-5-methylpyrazole
CID 59022592
2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide
CID 42880595
N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 146095759
3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one
CID 14820803
1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 7603195
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8777407
1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9072335

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 136521961) is N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cc1cc(NC(=O)c2cccn3c(=O)[nH]nc23)nn1-c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is KGXFXLVCDHWBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2/c1-10-9-14(22-24(10)13-7-3-2-6-12(13)18)19-16(25)11-5-4-8-23-15(11)20-21-17(23)26/h2-9H,1H3,(H,21,26)(H,19,22,25).
What are the key properties of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 368.78 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 136521961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).