1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one

C20H17ClN2O — CID 17228188

IUPAC1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccc(Cl)cc2)c2c1C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C20H17ClN2O/c1-13-20-18(23(22-13)17-9-7-16(21)8-10-17)11-15(12-19(20)24)14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3
InChIKeyGIWWZKHMUHCIBL-UHFFFAOYSA-N
MW336.82 g/mol
LogP4.75
Rot. Bonds2

About 1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one

1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 17228188) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one
PubChem CID17228188
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccc(Cl)cc2)c2c1C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C20H17ClN2O/c1-13-20-18(23(22-13)17-9-7-16(21)8-10-17)11-15(12-19(20)24)14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3
InChIKeyGIWWZKHMUHCIBL-UHFFFAOYSA-N
XLogP4.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one (CID 17228188) is 1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one is Cc1nn(-c2ccc(Cl)cc2)c2c1C(=O)CC(c1ccccc1)C2.
What is the InChIKey of 1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is GIWWZKHMUHCIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c1-13-20-18(23(22-13)17-9-7-16(21)8-10-17)11-15(12-19(20)24)14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one?
1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 336.82 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 17228188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).