1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone

C19H24N2O2 — CID 619619

IUPAC1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone
SMILESCCc1ccc(C2c3c(n[nH]c3C)CC(C)(O)C2C(C)=O)cc1
InChIInChI=1S/C19H24N2O2/c1-5-13-6-8-14(9-7-13)17-16-11(2)20-21-15(16)10-19(4,23)18(17)12(3)22/h6-9,17-18,23H,5,10H2,1-4H3,(H,20,21)
InChIKeyAURQONAMLKFZDJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.92
Rot. Bonds3

About 1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone

1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone (PubChem CID 619619) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone
PubChem CID619619
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone
SMILESCCc1ccc(C2c3c(n[nH]c3C)CC(C)(O)C2C(C)=O)cc1
InChIInChI=1S/C19H24N2O2/c1-5-13-6-8-14(9-7-13)17-16-11(2)20-21-15(16)10-19(4,23)18(17)12(3)22/h6-9,17-18,23H,5,10H2,1-4H3,(H,20,21)
InChIKeyAURQONAMLKFZDJ-UHFFFAOYSA-N
XLogP2.92
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone 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 1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone?
The IUPAC name of 1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone (CID 619619) is 1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone is CCc1ccc(C2c3c(n[nH]c3C)CC(C)(O)C2C(C)=O)cc1.
What is the InChIKey of 1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone?
The InChIKey is AURQONAMLKFZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-5-13-6-8-14(9-7-13)17-16-11(2)20-21-15(16)10-19(4,23)18(17)12(3)22/h6-9,17-18,23H,5,10H2,1-4H3,(H,20,21).
What are the key properties of 1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone?
1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone has a molecular weight of 312.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylphenyl)-6-hydroxy-3,6-dimethyl-2,4,5,7-tetrahydroindazol-5-yl]ethanone is sourced from PubChem (CID 619619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).