1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one

C15H14N2O2 — CID 166633142

IUPAC1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1cccc(C(=O)n2ncc3c2CCCC3=O)c1
InChIInChI=1S/C15H14N2O2/c1-10-4-2-5-11(8-10)15(19)17-13-6-3-7-14(18)12(13)9-16-17/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyLAPHMLVVBFSHML-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.40
Rot. Bonds1

About 1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one

1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 166633142) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID166633142
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1cccc(C(=O)n2ncc3c2CCCC3=O)c1
InChIInChI=1S/C15H14N2O2/c1-10-4-2-5-11(8-10)15(19)17-13-6-3-7-14(18)12(13)9-16-17/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyLAPHMLVVBFSHML-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

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Related Compounds

2-phenyl-2H-indazole-7-carboxamide
CID 44549251
2-Benzyl-2H-indazole-7-carboxamide
CID 44549372
(1,3-dimethyl-1H-pyrazol-4-yl)(phenyl)methanone
CID 673348
1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 4738557
6-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1-methyl-6,7-dihydro-5H-indazol-4-one
CID 44441218
2-acetyl-5H-pyrazolo[4,3-c]quinolin-4-one
CID 156022126
2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one
CID 166625899
5,5-Dibromo-2-(3-methylbenzoyl)-6,7-dihydroindazol-4-one
CID 166629911
5-bromo-2-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one
CID 166635353
1-Benzoyl-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 749826
1-Benzoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one
CID 788456
Indazol-1-yl-(3-methylphenyl)methanone
CID 56670019

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one (CID 166633142) is 1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one is Cc1cccc(C(=O)n2ncc3c2CCCC3=O)c1.
What is the InChIKey of 1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is LAPHMLVVBFSHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-4-2-5-11(8-10)15(19)17-13-6-3-7-14(18)12(13)9-16-17/h2,4-5,8-9H,3,6-7H2,1H3.
What are the key properties of 1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one?
1-(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 1-(3-methylbenzoyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 166633142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).