3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one

C13H13N3O — CID 135043948

IUPAC3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one
SMILESCc1ccc(-c2n[nH]c3c2CC(=O)NC3)cc1
InChIInChI=1S/C13H13N3O/c1-8-2-4-9(5-3-8)13-10-6-12(17)14-7-11(10)15-16-13/h2-5H,6-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyZACGYUPNZZKKHL-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.56
Rot. Bonds1

About 3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one

3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one (PubChem CID 135043948) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one
PubChem CID135043948
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one
SMILESCc1ccc(-c2n[nH]c3c2CC(=O)NC3)cc1
InChIInChI=1S/C13H13N3O/c1-8-2-4-9(5-3-8)13-10-6-12(17)14-7-11(10)15-16-13/h2-5H,6-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyZACGYUPNZZKKHL-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645932
2-Phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 7694329
phenyl(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 17582198
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one
CID 23645917
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645918
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(1,1,2,2,2-pentafluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645925
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645928
(3R)-3-amino-1-{3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl}-4-(2,5-difluorophenyl)butan-1-one
CID 23645934
N-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 20953939
N-isopropyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 20953956
N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654751

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one (CID 135043948) is 3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one is Cc1ccc(-c2n[nH]c3c2CC(=O)NC3)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one?
The InChIKey is ZACGYUPNZZKKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8-2-4-9(5-3-8)13-10-6-12(17)14-7-11(10)15-16-13/h2-5H,6-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one?
3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one has a molecular weight of 227.27 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 135043948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).