2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one

C15H14N2O2 — CID 166625899

IUPAC2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1cccc(C(=O)n2cc3c(n2)CCCC3=O)c1
InChIInChI=1S/C15H14N2O2/c1-10-4-2-5-11(8-10)15(19)17-9-12-13(16-17)6-3-7-14(12)18/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyGUOXKUHQDKAZQD-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.40
Rot. Bonds1

About 2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one

2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 166625899) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID166625899
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1cccc(C(=O)n2cc3c(n2)CCCC3=O)c1
InChIInChI=1S/C15H14N2O2/c1-10-4-2-5-11(8-10)15(19)17-9-12-13(16-17)6-3-7-14(12)18/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyGUOXKUHQDKAZQD-UHFFFAOYSA-N
XLogP2.40
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole
CID 680939
2-phenyl-2H-indazole-7-carboxamide
CID 44549251
2-Benzyl-2H-indazole-7-carboxamide
CID 44549372
(5aS,6S,9aR)-2-benzoyl-6-methyl-7-oxo-9a-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile
CID 118291499
(1,3-dimethyl-1H-pyrazol-4-yl)(phenyl)methanone
CID 673348
1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 4738557
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}acetamide
CID 833517
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}butanamide
CID 833520
N-[4-(3-Methyl-pyrazole-1-carbonyl)-phenyl]-propionamide
CID 647673
6-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1-methyl-6,7-dihydro-5H-indazol-4-one
CID 44441218
1-[4-(3-methylpyrazol-1-yl)benzoyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 145972843
2-acetyl-5H-pyrazolo[4,3-c]quinolin-4-one
CID 156022126

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one (CID 166625899) is 2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one is Cc1cccc(C(=O)n2cc3c(n2)CCCC3=O)c1.
What is the InChIKey of 2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is GUOXKUHQDKAZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-4-2-5-11(8-10)15(19)17-9-12-13(16-17)6-3-7-14(12)18/h2,4-5,8-9H,3,6-7H2,1H3.
What are the key properties of 2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one?
2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 254.29 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 166625899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).