1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone

C16H14ClN3O2 — CID 156906964

IUPAC1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone
SMILESCOc1ccc2c(c1)c(N)nn2C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O2/c1-22-12-5-6-14-13(9-12)16(18)19-20(14)15(21)8-10-3-2-4-11(17)7-10/h2-7,9H,8H2,1H3,(H2,18,19)
InChIKeyZQIQPTPKQRCWHN-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.16
Rot. Bonds3

About 1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone

1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone (PubChem CID 156906964) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone
PubChem CID156906964
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone
SMILESCOc1ccc2c(c1)c(N)nn2C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O2/c1-22-12-5-6-14-13(9-12)16(18)19-20(14)15(21)8-10-3-2-4-11(17)7-10/h2-7,9H,8H2,1H3,(H2,18,19)
InChIKeyZQIQPTPKQRCWHN-UHFFFAOYSA-N
XLogP3.16
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 110779915
(2S)-3-(3-chlorophenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100533934
2-(3-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 100622666
tert-butyl 3-amino-5-[2-(3-methoxyphenyl)ethylcarbamoylamino]indazole-1-carboxylate
CID 68918447
ethyl 5-amino-1-[2-(3-methoxyphenyl)acetyl]pyrazole-4-carboxylate
CID 2815824
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
N-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxy-1H-indol-3-yl)acetohydrazide
CID 70337838
3-[[(3-chlorophenyl)methylamino]methyl]-6-methoxy-1-methylindole-2-carboxylic acid
CID 53208695
1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine
CID 69189312
2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733787
1-(3-chlorophenyl)propan-2-one
CID 2734097
1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
CID 142438199

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone?
The IUPAC name of 1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone (CID 156906964) is 1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone.
What is the SMILES notation for 1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone?
The canonical SMILES for 1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone is COc1ccc2c(c1)c(N)nn2C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone?
The InChIKey is ZQIQPTPKQRCWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-22-12-5-6-14-13(9-12)16(18)19-20(14)15(21)8-10-3-2-4-11(17)7-10/h2-7,9H,8H2,1H3,(H2,18,19).
What are the key properties of 1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone?
1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone has a molecular weight of 315.76 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methoxyindazol-1-yl)-2-(3-chlorophenyl)ethanone is sourced from PubChem (CID 156906964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).