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

C14H13ClN2O — CID 124634319

IUPAC(6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESC[C@@H]1CC(=O)c2cnn(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C14H13ClN2O/c1-9-6-13-12(14(18)7-9)8-16-17(13)11-4-2-10(15)3-5-11/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1
InChIKeyTYJOGNNWRLPRID-VIFPVBQESA-N
MW260.72 g/mol
LogP3.29
Rot. Bonds1

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

(6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 124634319) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is (6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID124634319
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name(6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESC[C@@H]1CC(=O)c2cnn(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C14H13ClN2O/c1-9-6-13-12(14(18)7-9)8-16-17(13)11-4-2-10(15)3-5-11/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1
InChIKeyTYJOGNNWRLPRID-VIFPVBQESA-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

(6R)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 40771985
(6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 29101010
(6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 40917572
6-methyl-1-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-indazol-4-one
CID 53418826
6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228221
1-(2,6-dichlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 53415414
1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 53415447
(6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634303
(6S)-1-(2,5-dimethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634295
N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide
CID 164625286
(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 26433714
3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 3160991

Frequently Asked Questions

What is the IUPAC name of (6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (CID 124634319) is (6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is C[C@@H]1CC(=O)c2cnn(-c3ccc(Cl)cc3)c2C1.
What is the InChIKey of (6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is TYJOGNNWRLPRID-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-6-13-12(14(18)7-9)8-16-17(13)11-4-2-10(15)3-5-11/h2-5,8-9H,6-7H2,1H3/t9-/m0/s1.
What are the key properties of (6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
(6S)-1-(4-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 (6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 124634319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).