2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid

C15H14FNO2 — CID 82089784

IUPAC2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)c(C3CC3)[nH]2)ccc1F
InChIInChI=1S/C15H14FNO2/c1-8-6-10(4-5-12(8)16)13-7-11(15(18)19)14(17-13)9-2-3-9/h4-7,9,17H,2-3H2,1H3,(H,18,19)
InChIKeyAMRZCICKTALUEZ-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.70
Rot. Bonds3

About 2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid

2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid (PubChem CID 82089784) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid
PubChem CID82089784
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)c(C3CC3)[nH]2)ccc1F
InChIInChI=1S/C15H14FNO2/c1-8-6-10(4-5-12(8)16)13-7-11(15(18)19)14(17-13)9-2-3-9/h4-7,9,17H,2-3H2,1H3,(H,18,19)
InChIKeyAMRZCICKTALUEZ-UHFFFAOYSA-N
XLogP3.70
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylic acid
CID 82081108
5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 82079702
5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 4715364
5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53222871
5-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82087076
5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 82123931
5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 78917575
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880620
2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid
CID 115031847
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid
CID 116883404
4-(4-fluorophenyl)-2-methylbenzoic acid
CID 46314576
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878701

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid (CID 82089784) is 2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid is Cc1cc(-c2cc(C(=O)O)c(C3CC3)[nH]2)ccc1F.
What is the InChIKey of 2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is AMRZCICKTALUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-8-6-10(4-5-12(8)16)13-7-11(15(18)19)14(17-13)9-2-3-9/h4-7,9,17H,2-3H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid?
2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 259.28 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82089784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).