1-benzoylindazole-3-carbonitrile

C15H9N3O — CID 71818548

IUPAC1-benzoylindazole-3-carbonitrile
SMILESN#Cc1nn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C15H9N3O/c16-10-13-12-8-4-5-9-14(12)18(17-13)15(19)11-6-2-1-3-7-11/h1-9H
InChIKeyMOYKZPSSFMCUAR-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.60
Rot. Bonds1

About 1-benzoylindazole-3-carbonitrile

1-benzoylindazole-3-carbonitrile (PubChem CID 71818548) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-benzoylindazole-3-carbonitrile.

Molecular Properties

Compound Name1-benzoylindazole-3-carbonitrile
PubChem CID71818548
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name1-benzoylindazole-3-carbonitrile
SMILESN#Cc1nn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C15H9N3O/c16-10-13-12-8-4-5-9-14(12)18(17-13)15(19)11-6-2-1-3-7-11/h1-9H
InChIKeyMOYKZPSSFMCUAR-UHFFFAOYSA-N
XLogP2.60
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanobutyl)-N-(2-phenylpropan-2-yl)-1H-indazole-3-carboxamide
CID 117650402
1-Benzoyl-1H-benzotriazole
CID 570059
N-Phenyl-1H-indazole-3-carboxamide
CID 9341021
1-methyl-1H-indazole-3-carboxamide
CID 21699713
1-[2-(3-Ethylindazol-2-yl)phenyl]propane-1,2-dione
CID 2054264
1-(3-Methylbenzoyl)-1H-indazole-3-carbonitrile
CID 71818549
1-benzoyl-1H-indazole-3-carboxamide
CID 71818550
1-Benzoyl-N-phenyl-1H-indazole-3-carboxamide
CID 56676773
1-(3-Methylbenzoyl)-N-phenyl-1H-indazole-3-carboxamide
CID 56676775
1-(3-Methylbenzoyl)-5-nitroindazole-3-carbonitrile
CID 71818547
1-(3-Fluorobenzoyl)-N-phenyl-1H-indazole-3-carboxamide
CID 56659687
1-(4-Fluorobenzoyl)-N-phenyl-1H-indazole-3-carboxamide
CID 56659688

Frequently Asked Questions

What is the IUPAC name of 1-benzoylindazole-3-carbonitrile?
The IUPAC name of 1-benzoylindazole-3-carbonitrile (CID 71818548) is 1-benzoylindazole-3-carbonitrile.
What is the SMILES notation for 1-benzoylindazole-3-carbonitrile?
The canonical SMILES for 1-benzoylindazole-3-carbonitrile is N#Cc1nn(C(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzoylindazole-3-carbonitrile?
The InChIKey is MOYKZPSSFMCUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c16-10-13-12-8-4-5-9-14(12)18(17-13)15(19)11-6-2-1-3-7-11/h1-9H.
What are the key properties of 1-benzoylindazole-3-carbonitrile?
1-benzoylindazole-3-carbonitrile has a molecular weight of 247.26 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoylindazole-3-carbonitrile is sourced from PubChem (CID 71818548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).