1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one

C17H15N3O — CID 116619012

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one
SMILESCc1cc(CN2C(=O)c3cccc4cccc2c34)n(C)n1
InChIInChI=1S/C17H15N3O/c1-11-9-13(19(2)18-11)10-20-15-8-4-6-12-5-3-7-14(16(12)15)17(20)21/h3-9H,10H2,1-2H3
InChIKeyRHQBGHBPPHUNDI-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.04
Rot. Bonds2

About 1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one

1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one (PubChem CID 116619012) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one
PubChem CID116619012
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one
SMILESCc1cc(CN2C(=O)c3cccc4cccc2c34)n(C)n1
InChIInChI=1S/C17H15N3O/c1-11-9-13(19(2)18-11)10-20-15-8-4-6-12-5-3-7-14(16(12)15)17(20)21/h3-9H,10H2,1-2H3
InChIKeyRHQBGHBPPHUNDI-UHFFFAOYSA-N
XLogP3.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
1-[(2,5-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910370
1-(3-methylbutyl)benzo[cd]indol-2-one
CID 18758112
1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one
CID 63459019
1-[(2-chloro-3-pyridinyl)methyl]benzo[cd]indol-2-one
CID 62471682
1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one
CID 65491106
1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one
CID 15023400
1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one
CID 79244292
3-(2-oxobenzo[cd]indol-1-yl)propanal
CID 63039828
1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one
CID 24692767
1-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]benzo[cd]indol-2-one
CID 36543545
1-(2-aminopropyl)benzo[cd]indol-2-one
CID 43211493

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one (CID 116619012) is 1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one is Cc1cc(CN2C(=O)c3cccc4cccc2c34)n(C)n1.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one?
The InChIKey is RHQBGHBPPHUNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-9-13(19(2)18-11)10-20-15-8-4-6-12-5-3-7-14(16(12)15)17(20)21/h3-9H,10H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one?
1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one has a molecular weight of 277.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one is sourced from PubChem (CID 116619012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).