1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one

C14H13ClN2O — CID 53415447

IUPAC1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCC1CC(=O)c2cnn(-c3ccccc3Cl)c2C1
InChIInChI=1S/C14H13ClN2O/c1-9-6-13-10(14(18)7-9)8-16-17(13)12-5-3-2-4-11(12)15/h2-5,8-9H,6-7H2,1H3
InChIKeyQYOUJFISNSVCRB-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.29
Rot. Bonds1

About 1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one

1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 53415447) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID53415447
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCC1CC(=O)c2cnn(-c3ccccc3Cl)c2C1
InChIInChI=1S/C14H13ClN2O/c1-9-6-13-10(14(18)7-9)8-16-17(13)12-5-3-2-4-11(12)15/h2-5,8-9H,6-7H2,1H3
InChIKeyQYOUJFISNSVCRB-UHFFFAOYSA-N
XLogP3.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 53415414
(6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634303
1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one
CID 83868814
(6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634319
(6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634295
(6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 40917572
1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 83861379
1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
CID 65356817
1-(2-chlorophenyl)-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135636885
6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17067795
(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447090
2-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]acetaldehyde
CID 83896284

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (CID 53415447) is 1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is CC1CC(=O)c2cnn(-c3ccccc3Cl)c2C1.
What is the InChIKey of 1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is QYOUJFISNSVCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-6-13-10(14(18)7-9)8-16-17(13)12-5-3-2-4-11(12)15/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 260.72 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 53415447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).