1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid

C15H15FN2O2 — CID 82306811

IUPAC1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)nn1C1CCCC1
InChIInChI=1S/C15H15FN2O2/c16-11-7-5-10(6-8-11)13-9-14(15(19)20)18(17-13)12-3-1-2-4-12/h5-9,12H,1-4H2,(H,19,20)
InChIKeyXYVDKNSZQIHRHW-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.50
Rot. Bonds3

About 1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid

1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid (PubChem CID 82306811) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid
PubChem CID82306811
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)nn1C1CCCC1
InChIInChI=1S/C15H15FN2O2/c16-11-7-5-10(6-8-11)13-9-14(15(19)20)18(17-13)12-3-1-2-4-12/h5-9,12H,1-4H2,(H,19,20)
InChIKeyXYVDKNSZQIHRHW-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid (CID 82306811) is 1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cc2)nn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid?
The InChIKey is XYVDKNSZQIHRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-11-7-5-10(6-8-11)13-9-14(15(19)20)18(17-13)12-3-1-2-4-12/h5-9,12H,1-4H2,(H,19,20).
What are the key properties of 1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid?
1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 82306811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).