3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol

C20H19ClN2O2 — CID 15453873

IUPAC3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol
SMILESCOc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2CCC(O)C3)cc1
InChIInChI=1S/C20H19ClN2O2/c1-25-17-9-6-15(7-10-17)23-19-11-8-16(24)12-18(19)20(22-23)13-2-4-14(21)5-3-13/h2-7,9-10,16,24H,8,11-12H2,1H3
InChIKeyCFWCZPFWDBOUHF-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.05
Rot. Bonds3

About 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol

3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol (PubChem CID 15453873) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol
PubChem CID15453873
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol
SMILESCOc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2CCC(O)C3)cc1
InChIInChI=1S/C20H19ClN2O2/c1-25-17-9-6-15(7-10-17)23-19-11-8-16(24)12-18(19)20(22-23)13-2-4-14(21)5-3-13/h2-7,9-10,16,24H,8,11-12H2,1H3
InChIKeyCFWCZPFWDBOUHF-UHFFFAOYSA-N
XLogP4.05
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol 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-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol?
The IUPAC name of 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol (CID 15453873) is 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol is COc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2CCC(O)C3)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol?
The InChIKey is CFWCZPFWDBOUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-25-17-9-6-15(7-10-17)23-19-11-8-16(24)12-18(19)20(22-23)13-2-4-14(21)5-3-13/h2-7,9-10,16,24H,8,11-12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol?
3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol has a molecular weight of 354.84 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-5-ol is sourced from PubChem (CID 15453873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).