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

C13H11FN2O2 — CID 82376267

IUPAC3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O2/c14-9-3-5-10(6-4-9)16-12(13(17)18)7-11(15-16)8-1-2-8/h3-8H,1-2H2,(H,17,18)
InChIKeyWWFHOLROOWGXKT-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.59
Rot. Bonds3

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

3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid (PubChem CID 82376267) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid
PubChem CID82376267
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O2/c14-9-3-5-10(6-4-9)16-12(13(17)18)7-11(15-16)8-1-2-8/h3-8H,1-2H2,(H,17,18)
InChIKeyWWFHOLROOWGXKT-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid (CID 82376267) is 3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid is O=C(O)c1cc(C2CC2)nn1-c1ccc(F)cc1.
What is the InChIKey of 3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid?
The InChIKey is WWFHOLROOWGXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-9-3-5-10(6-4-9)16-12(13(17)18)7-11(15-16)8-1-2-8/h3-8H,1-2H2,(H,17,18).
What are the key properties of 3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid?
3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid has a molecular weight of 246.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 82376267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).