3-(4-chlorophenyl)-1-cyclopropyl-4-methylpyrrole-2-carboxylic acid

C15H14ClNO2 — CID 118169853

IUPAC3-(4-chlorophenyl)-1-cyclopropyl-4-methylpyrrole-2-carboxylic acid
SMILESCc1cn(C2CC2)c(C(=O)O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c1-9-8-17(12-6-7-12)14(15(18)19)13(9)10-2-4-11(16)5-3-10/h2-5,8,12H,6-7H2,1H3,(H,18,19)
InChIKeyFPTWMBHIMGPVNY-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.15
Rot. Bonds3

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

3-(4-chlorophenyl)-1-cyclopropyl-4-methylpyrrole-2-carboxylic acid (PubChem CID 118169853) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-cyclopropyl-4-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-cyclopropyl-4-methylpyrrole-2-carboxylic acid
PubChem CID118169853
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name3-(4-chlorophenyl)-1-cyclopropyl-4-methylpyrrole-2-carboxylic acid
SMILESCc1cn(C2CC2)c(C(=O)O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c1-9-8-17(12-6-7-12)14(15(18)19)13(9)10-2-4-11(16)5-3-10/h2-5,8,12H,6-7H2,1H3,(H,18,19)
InChIKeyFPTWMBHIMGPVNY-UHFFFAOYSA-N
XLogP4.15
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-1-cyclopropyl-4-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

3-(4-chlorophenyl)-1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrrole-2-carboxylic acid
CID 118169804
1-benzyl-4-methyl-3-(4-methylphenyl)pyrrole-2-carboxylic acid
CID 67147752
1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid
CID 82112948
3-[4-(4-chlorophenyl)phenyl]-4-cyano-1,5-dimethylpyrrole-2-carboxylic acid
CID 143040639
6-chloro-2-(cyclohexylamino)-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid
CID 23060609
1-cyclopropyl-4-methylindole-3-carboxylic acid
CID 115029078
1-cyclopropyl-3,4-dimethoxypyrrole-2-carboxylic acid
CID 84678244
5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one
CID 68839579
(2R,3S)-1-(4-chlorophenyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96591785
5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid
CID 82250951
6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid
CID 82519288
ethyl 4-[3-(4-chlorophenyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate
CID 118167079

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-cyclopropyl-4-methylpyrrole-2-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-1-cyclopropyl-4-methylpyrrole-2-carboxylic acid (CID 118169853) is 3-(4-chlorophenyl)-1-cyclopropyl-4-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-1-cyclopropyl-4-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-1-cyclopropyl-4-methylpyrrole-2-carboxylic acid is Cc1cn(C2CC2)c(C(=O)O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-cyclopropyl-4-methylpyrrole-2-carboxylic acid?
The InChIKey is FPTWMBHIMGPVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-9-8-17(12-6-7-12)14(15(18)19)13(9)10-2-4-11(16)5-3-10/h2-5,8,12H,6-7H2,1H3,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-1-cyclopropyl-4-methylpyrrole-2-carboxylic acid?
3-(4-chlorophenyl)-1-cyclopropyl-4-methylpyrrole-2-carboxylic acid has a molecular weight of 275.74 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-cyclopropyl-4-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 118169853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).