1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one

C13H10ClN3O — CID 155526121

IUPAC1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESCc1cc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C13H10ClN3O/c1-8-6-12-11(13(18)16-8)7-15-17(12)10-4-2-9(14)3-5-10/h2-7H,1H3,(H,16,18)
InChIKeyIMCSAEAPGGNARB-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.68
Rot. Bonds1

About 1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one

1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one (PubChem CID 155526121) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one
PubChem CID155526121
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESCc1cc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C13H10ClN3O/c1-8-6-12-11(13(18)16-8)7-15-17(12)10-4-2-9(14)3-5-10/h2-7H,1H3,(H,16,18)
InChIKeyIMCSAEAPGGNARB-UHFFFAOYSA-N
XLogP2.68
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 46175112
N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
N-(3,4-dichlorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1225407
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
1-[5-methyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]ethan-1-one
CID 2805459
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
CID 80207
N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 1490704
5-methyl-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850329
N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850330
N-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850353
5-methyl-N-(2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 850355

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one (CID 155526121) is 1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one is Cc1cc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of 1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is IMCSAEAPGGNARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-8-6-12-11(13(18)16-8)7-15-17(12)10-4-2-9(14)3-5-10/h2-7H,1H3,(H,16,18).
What are the key properties of 1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one?
1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 259.70 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 155526121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).