6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one

C20H18N2O — CID 44613447

IUPAC6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one
SMILESCC1=Cc2c(c(=O)[nH]n2-c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C20H18N2O/c1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)22(21-20(19)23)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3,(H,21,23)
InChIKeyPEIBUABCSDDMFA-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.10
Rot. Bonds2

About 6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one

6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one (PubChem CID 44613447) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one.

Molecular Properties

Compound Name6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one
PubChem CID44613447
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one
SMILESCC1=Cc2c(c(=O)[nH]n2-c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C20H18N2O/c1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)22(21-20(19)23)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3,(H,21,23)
InChIKeyPEIBUABCSDDMFA-UHFFFAOYSA-N
XLogP4.10
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one?
The IUPAC name of 6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one (CID 44613447) is 6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one.
What is the SMILES notation for 6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one?
The canonical SMILES for 6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one is CC1=Cc2c(c(=O)[nH]n2-c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one?
The InChIKey is PEIBUABCSDDMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)22(21-20(19)23)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3,(H,21,23).
What are the key properties of 6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one?
6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one has a molecular weight of 302.38 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-diphenyl-4,5-dihydro-2H-indazol-3-one is sourced from PubChem (CID 44613447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).