3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one

C19H16N2O2 — CID 712785

IUPAC3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(-c3ccccc3)c(-c3ccc(O)cc3)c21
InChIInChI=1S/C19H16N2O2/c22-15-11-9-13(10-12-15)19-18-16(7-4-8-17(18)23)20-21(19)14-5-2-1-3-6-14/h1-3,5-6,9-12,22H,4,7-8H2
InChIKeyZKGCRBFARQBFSH-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.76
Rot. Bonds2

About 3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one

3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 712785) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
PubChem CID712785
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(-c3ccccc3)c(-c3ccc(O)cc3)c21
InChIInChI=1S/C19H16N2O2/c22-15-11-9-13(10-12-15)19-18-16(7-4-8-17(18)23)20-21(19)14-5-2-1-3-6-14/h1-3,5-6,9-12,22H,4,7-8H2
InChIKeyZKGCRBFARQBFSH-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-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 3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one (CID 712785) is 3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2nn(-c3ccccc3)c(-c3ccc(O)cc3)c21.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is ZKGCRBFARQBFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-15-11-9-13(10-12-15)19-18-16(7-4-8-17(18)23)20-21(19)14-5-2-1-3-6-14/h1-3,5-6,9-12,22H,4,7-8H2.
What are the key properties of 3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one?
3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 304.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 712785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).