3-(3-acetylindazol-1-yl)propanenitrile

C12H11N3O — CID 132942081

IUPAC3-(3-acetylindazol-1-yl)propanenitrile
SMILESCC(=O)c1nn(CCC#N)c2ccccc12
InChIInChI=1S/C12H11N3O/c1-9(16)12-10-5-2-3-6-11(10)15(14-12)8-4-7-13/h2-3,5-6H,4,8H2,1H3
InChIKeyKGBMEGLQUUOKJH-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.15
Rot. Bonds3

About 3-(3-acetylindazol-1-yl)propanenitrile

3-(3-acetylindazol-1-yl)propanenitrile (PubChem CID 132942081) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(3-acetylindazol-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-acetylindazol-1-yl)propanenitrile
PubChem CID132942081
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-(3-acetylindazol-1-yl)propanenitrile
SMILESCC(=O)c1nn(CCC#N)c2ccccc12
InChIInChI=1S/C12H11N3O/c1-9(16)12-10-5-2-3-6-11(10)15(14-12)8-4-7-13/h2-3,5-6H,4,8H2,1H3
InChIKeyKGBMEGLQUUOKJH-UHFFFAOYSA-N
XLogP2.15
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone
CID 118567267
methyl 1-(3-cyanopropyl)indazole-3-carboxylate
CID 68892890
(3-acetylindazol-1-yl)methanesulfonic acid
CID 135226401
3-[[(2S)-2-[[1-(4-cyanobutyl)indazole-3-carbonyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid
CID 68893087
1-(2-methylprop-2-enyl)indazole-3-carboxylic acid
CID 18695551
N-[1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-1-(3-cyanopropyl)indazole-3-carboxamide
CID 143855615
1-(4-cyanobutyl)-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
CID 68895704
methyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 68501253
1-(3-methylsulfonylpropyl)indazole-3-carboxylic acid
CID 55158701
1-(5-fluoropentyl)indazole-3-carboxylic acid
CID 102334108
1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid
CID 64566513
1-but-3-enylindazole-3-carboxylic acid
CID 18695576

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylindazol-1-yl)propanenitrile?
The IUPAC name of 3-(3-acetylindazol-1-yl)propanenitrile (CID 132942081) is 3-(3-acetylindazol-1-yl)propanenitrile.
What is the SMILES notation for 3-(3-acetylindazol-1-yl)propanenitrile?
The canonical SMILES for 3-(3-acetylindazol-1-yl)propanenitrile is CC(=O)c1nn(CCC#N)c2ccccc12.
What is the InChIKey of 3-(3-acetylindazol-1-yl)propanenitrile?
The InChIKey is KGBMEGLQUUOKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-9(16)12-10-5-2-3-6-11(10)15(14-12)8-4-7-13/h2-3,5-6H,4,8H2,1H3.
What are the key properties of 3-(3-acetylindazol-1-yl)propanenitrile?
3-(3-acetylindazol-1-yl)propanenitrile has a molecular weight of 213.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylindazol-1-yl)propanenitrile is sourced from PubChem (CID 132942081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).