5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide

C16H15N3O — CID 3808898

IUPAC5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(C#N)cc2)n1C1CC1
InChIInChI=1S/C16H15N3O/c1-10-14(16(18)20)8-15(19(10)13-6-7-13)12-4-2-11(9-17)3-5-12/h2-5,8,13H,6-7H2,1H3,(H2,18,20)
InChIKeyOWIVNXOEBJSLQN-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.77
Rot. Bonds3

About 5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide

5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide (PubChem CID 3808898) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide
PubChem CID3808898
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(C#N)cc2)n1C1CC1
InChIInChI=1S/C16H15N3O/c1-10-14(16(18)20)8-15(19(10)13-6-7-13)12-4-2-11(9-17)3-5-12/h2-5,8,13H,6-7H2,1H3,(H2,18,20)
InChIKeyOWIVNXOEBJSLQN-UHFFFAOYSA-N
XLogP2.77
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-cyanophenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 3744019
4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
CID 3812558
5-(4-cyanophenyl)-2-methyl-1-pentan-3-ylpyrrole-3-carboxamide
CID 3811281
1-benzyl-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3808840
1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid
CID 82092878
1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3811307
1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3811310
4-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]benzonitrile
CID 110654526
1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 68561015
4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide
CID 57334621
1-cyclopropyl-2-methylindole-6-carbonitrile
CID 115020693
5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide
CID 134082283

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide (CID 3808898) is 5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccc(C#N)cc2)n1C1CC1.
What is the InChIKey of 5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide?
The InChIKey is OWIVNXOEBJSLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-14(16(18)20)8-15(19(10)13-6-7-13)12-4-2-11(9-17)3-5-12/h2-5,8,13H,6-7H2,1H3,(H2,18,20).
What are the key properties of 5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide?
5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3808898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).