5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid

C15H15FN2O2 — CID 82093610

IUPAC5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCCC2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C15H15FN2O2/c16-11-6-3-7-12(8-11)18-14(10-4-1-2-5-10)9-13(17-18)15(19)20/h3,6-10H,1-2,4-5H2,(H,19,20)
InChIKeyLWIHBDMEKOOMJR-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.37
Rot. Bonds3

About 5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid

5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid (PubChem CID 82093610) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is 5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
PubChem CID82093610
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC Name5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCCC2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C15H15FN2O2/c16-11-6-3-7-12(8-11)18-14(10-4-1-2-5-10)9-13(17-18)15(19)20/h3,6-10H,1-2,4-5H2,(H,19,20)
InChIKeyLWIHBDMEKOOMJR-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid (CID 82093610) is 5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid is O=C(O)c1cc(C2CCCC2)n(-c2cccc(F)c2)n1.
What is the InChIKey of 5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid?
The InChIKey is LWIHBDMEKOOMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-11-6-3-7-12(8-11)18-14(10-4-1-2-5-10)9-13(17-18)15(19)20/h3,6-10H,1-2,4-5H2,(H,19,20).
What are the key properties of 5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid?
5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid has a molecular weight of 274.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82093610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).