5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid

C15H17NO2 — CID 43671767

IUPAC5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1c(C(=O)O)ccc1-c1cccc(C)c1
InChIInChI=1S/C15H17NO2/c1-3-9-16-13(7-8-14(16)15(17)18)12-6-4-5-11(2)10-12/h4-8,10H,3,9H2,1-2H3,(H,17,18)
InChIKeyDDDFMZCPUSVXBG-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.57
Rot. Bonds4

About 5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid

5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid (PubChem CID 43671767) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid
PubChem CID43671767
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1c(C(=O)O)ccc1-c1cccc(C)c1
InChIInChI=1S/C15H17NO2/c1-3-9-16-13(7-8-14(16)15(17)18)12-6-4-5-11(2)10-12/h4-8,10H,3,9H2,1-2H3,(H,17,18)
InChIKeyDDDFMZCPUSVXBG-UHFFFAOYSA-N
XLogP3.57
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3-methylphenyl)-1-propylpyrrole-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

1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
CID 43671676
5-(1-benzothiophen-5-yl)-1-propylpyrrole-2-carboxylic acid
CID 65473973
5-(2,3-dichlorophenyl)-1-propylpyrrole-2-carboxylic acid
CID 43671868
1-(2-hydroxyethyl)-5-phenylpyrrole-2-carboxylic acid
CID 82082001
5-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid
CID 82089802
5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid
CID 82091128
1-methyl-3-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 13370519
2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
CID 112787024
(2R)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7528431
3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46691012
N-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide
CID 138045634
3-(chloromethyl)-5-(3-methylphenyl)-4-propyl-1,2,4-triazole
CID 115398319

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid (CID 43671767) is 5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid is CCCn1c(C(=O)O)ccc1-c1cccc(C)c1.
What is the InChIKey of 5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid?
The InChIKey is DDDFMZCPUSVXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-9-16-13(7-8-14(16)15(17)18)12-6-4-5-11(2)10-12/h4-8,10H,3,9H2,1-2H3,(H,17,18).
What are the key properties of 5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid?
5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43671767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).