6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one

C14H16N2O2 — CID 42648389

IUPAC6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one
SMILESCC1(O)Cc2[nH][nH]c(=O)c2C(c2ccccc2)C1
InChIInChI=1S/C14H16N2O2/c1-14(18)7-10(9-5-3-2-4-6-9)12-11(8-14)15-16-13(12)17/h2-6,10,18H,7-8H2,1H3,(H2,15,16,17)
InChIKeyUXNHNQWNKCHOIN-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.53
Rot. Bonds1

About 6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one

6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one (PubChem CID 42648389) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one.

Molecular Properties

Compound Name6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one
PubChem CID42648389
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one
SMILESCC1(O)Cc2[nH][nH]c(=O)c2C(c2ccccc2)C1
InChIInChI=1S/C14H16N2O2/c1-14(18)7-10(9-5-3-2-4-6-9)12-11(8-14)15-16-13(12)17/h2-6,10,18H,7-8H2,1H3,(H2,15,16,17)
InChIKeyUXNHNQWNKCHOIN-UHFFFAOYSA-N
XLogP1.53
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-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-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one?
The IUPAC name of 6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one (CID 42648389) is 6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one.
What is the SMILES notation for 6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one?
The canonical SMILES for 6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one is CC1(O)Cc2[nH][nH]c(=O)c2C(c2ccccc2)C1.
What is the InChIKey of 6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one?
The InChIKey is UXNHNQWNKCHOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(18)7-10(9-5-3-2-4-6-9)12-11(8-14)15-16-13(12)17/h2-6,10,18H,7-8H2,1H3,(H2,15,16,17).
What are the key properties of 6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one?
6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one has a molecular weight of 244.29 g/mol, XLogP of 1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-methyl-4-phenyl-2,4,5,7-tetrahydro-1H-indazol-3-one is sourced from PubChem (CID 42648389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).