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

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 110885725
N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine
CID 115684234
2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine
CID 75377636
3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol
CID 111969470
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900
N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 71923123
2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol
CID 60896560
1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
CID 60728914
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
CID 86808519
N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine
CID 155953082
1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 111969416
2-(isoquinolin-5-ylmethylamino)-1-phenylethanol
CID 62823894

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).