1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid

C17H19NO2 — CID 82092874

IUPAC1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c(C)n2C2CC2)cc1
InChIInChI=1S/C17H19NO2/c1-3-12-4-6-13(7-5-12)16-10-15(17(19)20)11(2)18(16)14-8-9-14/h4-7,10,14H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyIADBOCIAYQCPQL-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.06
Rot. Bonds4

About 1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid

1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid (PubChem CID 82092874) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid
PubChem CID82092874
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c(C)n2C2CC2)cc1
InChIInChI=1S/C17H19NO2/c1-3-12-4-6-13(7-5-12)16-10-15(17(19)20)11(2)18(16)14-8-9-14/h4-7,10,14H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyIADBOCIAYQCPQL-UHFFFAOYSA-N
XLogP4.06
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid
CID 83531011
5-(4-cyanophenyl)-1-cyclopropyl-2-methylpyrrole-3-carboxamide
CID 3808898
1-cyclopropyl-2-methyl-5-propan-2-ylpyrrole-3-carboxylic acid
CID 83533011
1-cyclopropyl-5-(4-propylphenyl)pyrrole-2-carboxylic acid
CID 43671663
1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole
CID 82088269
1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82520836
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 110659139
1-(cyclopropylmethyl)-2-methyl-5-[4-(trifluoromethoxy)phenyl]pyrrole-3-carboxylic acid
CID 154050311
4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 117001369
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 45037411
5-(3,4-dimethylphenyl)-1-ethyl-2-methylpyrrole-3-carboxylic acid
CID 82089263

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid (CID 82092874) is 1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid is CCc1ccc(-c2cc(C(=O)O)c(C)n2C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid?
The InChIKey is IADBOCIAYQCPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-12-4-6-13(7-5-12)16-10-15(17(19)20)11(2)18(16)14-8-9-14/h4-7,10,14H,3,8-9H2,1-2H3,(H,19,20).
What are the key properties of 1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid?
1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid is sourced from PubChem (CID 82092874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).