1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol

C16H16ClN3O — CID 111969339

IUPAC1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol
SMILESOC(CNCc1cccc2cn[nH]c12)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O/c17-14-6-4-11(5-7-14)15(21)10-18-8-12-2-1-3-13-9-19-20-16(12)13/h1-7,9,15,18,21H,8,10H2,(H,19,20)
InChIKeyFQRIHVHNINFVDT-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.04
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol

1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol (PubChem CID 111969339) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol
PubChem CID111969339
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol
SMILESOC(CNCc1cccc2cn[nH]c12)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O/c17-14-6-4-11(5-7-14)15(21)10-18-8-12-2-1-3-13-9-19-20-16(12)13/h1-7,9,15,18,21H,8,10H2,(H,19,20)
InChIKeyFQRIHVHNINFVDT-UHFFFAOYSA-N
XLogP3.04
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol 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-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol (CID 111969339) is 1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol is OC(CNCc1cccc2cn[nH]c12)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol?
The InChIKey is FQRIHVHNINFVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-14-6-4-11(5-7-14)15(21)10-18-8-12-2-1-3-13-9-19-20-16(12)13/h1-7,9,15,18,21H,8,10H2,(H,19,20).
What are the key properties of 1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol?
1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol has a molecular weight of 301.78 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol is sourced from PubChem (CID 111969339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).