1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile

C15H12ClN3O — CID 82591134

IUPAC1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile
SMILESN#Cc1nn(Cc2ccccc2Cl)c2c1C(=O)CCC2
InChIInChI=1S/C15H12ClN3O/c16-11-5-2-1-4-10(11)9-19-13-6-3-7-14(20)15(13)12(8-17)18-19/h1-2,4-5H,3,6-7,9H2
InChIKeyHYGZNIPHGUZHKX-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.98
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile

1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile (PubChem CID 82591134) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile
PubChem CID82591134
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile
SMILESN#Cc1nn(Cc2ccccc2Cl)c2c1C(=O)CCC2
InChIInChI=1S/C15H12ClN3O/c16-11-5-2-1-4-10(11)9-19-13-6-3-7-14(20)15(13)12(8-17)18-19/h1-2,4-5H,3,6-7,9H2
InChIKeyHYGZNIPHGUZHKX-UHFFFAOYSA-N
XLogP2.98
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indazole-3-carbonitrile
CID 82591124
5-chloro-1-[(2-chlorophenyl)methyl]-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 55237713
3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole
CID 66016107
1-[(2-chlorophenyl)methyl]-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82203405
5-amino-1-[(2-chlorophenyl)methyl]-3-cyclopentylpyrazole-4-carbonitrile
CID 100764251
1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588635
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
4-[[4-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 37278956
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 2451344
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate
CID 2451343
3-[(2-chlorophenyl)methyl]-4-oxophthalazine-1-carboxylic acid
CID 5304395
N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide
CID 155916587

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile (CID 82591134) is 1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile is N#Cc1nn(Cc2ccccc2Cl)c2c1C(=O)CCC2.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile?
The InChIKey is HYGZNIPHGUZHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-11-5-2-1-4-10(11)9-19-13-6-3-7-14(20)15(13)12(8-17)18-19/h1-2,4-5H,3,6-7,9H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile?
1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile has a molecular weight of 285.73 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydro-5H-indazole-3-carbonitrile is sourced from PubChem (CID 82591134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).