1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone

C15H13N3O — CID 91125991

IUPAC1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone
SMILESCC(=O)c1n[nH]c2cc(-c3ccc(N)cc3)ccc12
InChIInChI=1S/C15H13N3O/c1-9(19)15-13-7-4-11(8-14(13)17-18-15)10-2-5-12(16)6-3-10/h2-8H,16H2,1H3,(H,17,18)
InChIKeyJALBBGKEDCUKEY-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.01
Rot. Bonds2

About 1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone

1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone (PubChem CID 91125991) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone
PubChem CID91125991
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone
SMILESCC(=O)c1n[nH]c2cc(-c3ccc(N)cc3)ccc12
InChIInChI=1S/C15H13N3O/c1-9(19)15-13-7-4-11(8-14(13)17-18-15)10-2-5-12(16)6-3-10/h2-8H,16H2,1H3,(H,17,18)
InChIKeyJALBBGKEDCUKEY-UHFFFAOYSA-N
XLogP3.01
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate
CID 46235776
6-phenyl-1H-indazole-3-carboxylic acid
CID 74892779
6-(4-iodophenyl)-1H-indazole-3-carboxylic acid
CID 70882113
(3-acetyl-1H-indazol-6-yl)methyl acetate
CID 70075909
ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate
CID 46235778
1-(1H-indazol-3-yl)ethanone
CID 15684169
3-acetyl-1H-indazole-5-carbaldehyde
CID 169168282
1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone
CID 144997194
6-(4-methoxyphenyl)-1H-indazol-3-amine
CID 11564957
(2S)-2-amino-4-(6-amino-1H-indazol-3-yl)-4-oxobutanoic acid
CID 174979489
6-pyridin-4-yl-1H-indazol-3-amine;hydrochloride
CID 53317179
6-bromo-1H-indazole-3-carbohydrazide
CID 130118976

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone?
The IUPAC name of 1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone (CID 91125991) is 1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone.
What is the SMILES notation for 1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone?
The canonical SMILES for 1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone is CC(=O)c1n[nH]c2cc(-c3ccc(N)cc3)ccc12.
What is the InChIKey of 1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone?
The InChIKey is JALBBGKEDCUKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-9(19)15-13-7-4-11(8-14(13)17-18-15)10-2-5-12(16)6-3-10/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone?
1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone has a molecular weight of 251.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone is sourced from PubChem (CID 91125991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).