4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile

C19H15N3O — CID 759787

IUPAC4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)c(C(=O)c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C19H15N3O/c1-13-16(12-20)17(21)18(19(23)14-8-4-2-5-9-14)22(13)15-10-6-3-7-11-15/h2-11H,21H2,1H3
InChIKeyXOBQIECJJXHBKH-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.47
Rot. Bonds3

About 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile

4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile (PubChem CID 759787) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile
PubChem CID759787
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)c(C(=O)c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C19H15N3O/c1-13-16(12-20)17(21)18(19(23)14-8-4-2-5-9-14)22(13)15-10-6-3-7-11-15/h2-11H,21H2,1H3
InChIKeyXOBQIECJJXHBKH-UHFFFAOYSA-N
XLogP3.47
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(4-bromobenzoyl)-4-cyano-5-methyl-1-phenyl-1H-pyrrol-3-yl]-N,N-dimethylimidoformamide
CID 2836475
N-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide
CID 657783
2-Amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 759944
1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide
CID 155553481
N'-[4-cyano-5-methyl-1-phenyl-2-(phenylcarbonyl)-1H-pyrrol-3-yl]-N,N-dimethylimidoformamide
CID 2836474
(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone
CID 3042143
2-Amino-3-benzoylindolizine-1-carbonitrile
CID 3612336
6-amino-5-benzoyl-2,3-dihydro-1H-pyrrolizine-7-carbonitrile
CID 741280
Ethanone, 1-(4-amino-1,2-dimethyl-5-phenyl-1H-pyrrol-3-YL)-
CID 41890
Methanone, (4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)phenyl-, monohydrochloride
CID 3042142
5-acetyl-4-amino-1-(4-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 659884
4-Amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carboxamide
CID 754868

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile?
The IUPAC name of 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile (CID 759787) is 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile.
What is the SMILES notation for 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile?
The canonical SMILES for 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile is Cc1c(C#N)c(N)c(C(=O)c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile?
The InChIKey is XOBQIECJJXHBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-13-16(12-20)17(21)18(19(23)14-8-4-2-5-9-14)22(13)15-10-6-3-7-11-15/h2-11H,21H2,1H3.
What are the key properties of 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile?
4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile has a molecular weight of 301.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-benzoyl-2-methyl-1-phenylpyrrole-3-carbonitrile is sourced from PubChem (CID 759787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).