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

C17H19NO2 — CID 82092878

IUPAC1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c(C)n2C2CC2)cc1C
InChIInChI=1S/C17H19NO2/c1-10-4-5-13(8-11(10)2)16-9-15(17(19)20)12(3)18(16)14-6-7-14/h4-5,8-9,14H,6-7H2,1-3H3,(H,19,20)
InChIKeyBLDBCDYQEDAOBJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.11
Rot. Bonds3

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

1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid (PubChem CID 82092878) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid
PubChem CID82092878
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c(C)n2C2CC2)cc1C
InChIInChI=1S/C17H19NO2/c1-10-4-5-13(8-11(10)2)16-9-15(17(19)20)12(3)18(16)14-6-7-14/h4-5,8-9,14H,6-7H2,1-3H3,(H,19,20)
InChIKeyBLDBCDYQEDAOBJ-UHFFFAOYSA-N
XLogP4.11
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid
CID 82092874
5-(3,4-dimethylphenyl)-1-ethyl-2-methylpyrrole-3-carboxylic acid
CID 82089263
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-ethyl-2-methylpyrrole-3-carboxylic acid
CID 83531011
1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid
CID 4715362
1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82520836
6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82519998
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82099746
5-(3,4-dimethylphenyl)-2,3-dimethoxybenzoic acid
CID 82107051
5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid
CID 107622885
5-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid
CID 82089802

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid (CID 82092878) is 1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c(C)n2C2CC2)cc1C.
What is the InChIKey of 1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid?
The InChIKey is BLDBCDYQEDAOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-10-4-5-13(8-11(10)2)16-9-15(17(19)20)12(3)18(16)14-6-7-14/h4-5,8-9,14H,6-7H2,1-3H3,(H,19,20).
What are the key properties of 1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid?
1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid is sourced from PubChem (CID 82092878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).