1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid

C15H14F3NO2 — CID 43671676

IUPAC1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
SMILESCCCn1c(C(=O)O)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO2/c1-2-9-19-12(7-8-13(19)14(20)21)10-3-5-11(6-4-10)15(16,17)18/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyDQOKXZXIMXUFKE-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.28
Rot. Bonds4

About 1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid

1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid (PubChem CID 43671676) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
PubChem CID43671676
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
SMILESCCCn1c(C(=O)O)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO2/c1-2-9-19-12(7-8-13(19)14(20)21)10-3-5-11(6-4-10)15(16,17)18/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyDQOKXZXIMXUFKE-UHFFFAOYSA-N
XLogP4.28
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
CID 43671677
5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid
CID 43671767
5-(1-benzothiophen-5-yl)-1-propylpyrrole-2-carboxylic acid
CID 65473973
5-(4-tert-butylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 43671696
1-(2-hydroxyethyl)-5-phenylpyrrole-2-carboxylic acid
CID 82082001
1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 13370512
5-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid
CID 82089802
5-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxylic acid
CID 51368412
1-methyl-7-[4-(trifluoromethyl)phenyl]indole-2-carboxylic acid
CID 171663174
1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid
CID 43671786
1-ethyl-5-(2,3,5,6-tetrafluorophenyl)pyrrole-2-carboxylic acid
CID 107645794
2-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 68887185

Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid (CID 43671676) is 1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid is CCCn1c(C(=O)O)ccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid?
The InChIKey is DQOKXZXIMXUFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-2-9-19-12(7-8-13(19)14(20)21)10-3-5-11(6-4-10)15(16,17)18/h3-8H,2,9H2,1H3,(H,20,21).
What are the key properties of 1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid?
1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid has a molecular weight of 297.28 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 43671676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).