4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid

C14H15NO2 — CID 117001369

IUPAC4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)n(C)c2)cc1
InChIInChI=1S/C14H15NO2/c1-3-10-4-6-11(7-5-10)12-8-13(14(16)17)15(2)9-12/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyOMQLPHRVNZJIDR-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.95
Rot. Bonds3

About 4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid

4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 117001369) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid
PubChem CID117001369
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)n(C)c2)cc1
InChIInChI=1S/C14H15NO2/c1-3-10-4-6-11(7-5-10)12-8-13(14(16)17)15(2)9-12/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyOMQLPHRVNZJIDR-UHFFFAOYSA-N
XLogP2.95
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-ethylphenyl)-1-methylpyrrole-2-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

[4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine
CID 117001477
methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate
CID 58326664
(4-ethylpiperazin-1-yl)-(1-methyl-4-phenylpyrrol-2-yl)methanone
CID 53014171
N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide
CID 50847027
methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 117223159
4-acetyl-1-(4-ethylphenyl)pyrrole-2-carboxylic acid
CID 114603121
1-(4-ethyl-1-methylpyrrol-2-yl)ethanone
CID 58122822
1-methyl-4-thiophen-2-ylpyrrole-2-carboxylic acid
CID 117001368
4-fluoro-1-methylpyrrole-2-carboxylic acid
CID 84648823
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
5-ethyl-1-methylindole-3-carboxylic acid
CID 82278766
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid (CID 117001369) is 4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid is CCc1ccc(-c2cc(C(=O)O)n(C)c2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is OMQLPHRVNZJIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-10-4-6-11(7-5-10)12-8-13(14(16)17)15(2)9-12/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of 4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid?
4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 117001369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).