3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C13H13N3O — CID 4227315

IUPAC3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1[nH]nc2c1C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C13H13N3O/c1-8-12-10(9-5-3-2-4-6-9)7-11(17)14-13(12)16-15-8/h2-6,10H,7H2,1H3,(H2,14,15,16,17)
InChIKeyUMCCYPKQMBZRNN-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.19
Rot. Bonds1

About 3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 4227315) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID4227315
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1[nH]nc2c1C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C13H13N3O/c1-8-12-10(9-5-3-2-4-6-9)7-11(17)14-13(12)16-15-8/h2-6,10H,7H2,1H3,(H2,14,15,16,17)
InChIKeyUMCCYPKQMBZRNN-UHFFFAOYSA-N
XLogP2.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
3,7,7-trimethyl-4-phenyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
CID 2763819
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
CID 5330942
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 5330950
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 5331003
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-fluorophenyl)phenyl]acetamide
CID 5331004
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-methylphenyl)phenyl]acetamide
CID 5331005
N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butanamide
CID 6539527
N1-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 339735
4-(4-fluorophenyl)-3,7,7-trimethyl-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
CID 3245314
4-(2-fluorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 3453573

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 4227315) is 3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is Cc1[nH]nc2c1C(c1ccccc1)CC(=O)N2.
What is the InChIKey of 3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is UMCCYPKQMBZRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8-12-10(9-5-3-2-4-6-9)7-11(17)14-13(12)16-15-8/h2-6,10H,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 227.27 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 4227315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).