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

C15H15FN2O3 — CID 117232936

IUPAC4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(OC2CCCC2)cnn1-c1cccc(F)c1
InChIInChI=1S/C15H15FN2O3/c16-10-4-3-5-11(8-10)18-14(15(19)20)13(9-17-18)21-12-6-1-2-7-12/h3-5,8-9,12H,1-2,6-7H2,(H,19,20)
InChIKeyHMZHTOYODLLTJT-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.03
Rot. Bonds4

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

4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid (PubChem CID 117232936) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid
PubChem CID117232936
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(OC2CCCC2)cnn1-c1cccc(F)c1
InChIInChI=1S/C15H15FN2O3/c16-10-4-3-5-11(8-10)18-14(15(19)20)13(9-17-18)21-12-6-1-2-7-12/h3-5,8-9,12H,1-2,6-7H2,(H,19,20)
InChIKeyHMZHTOYODLLTJT-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 117232941
1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid
CID 117232476
5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole
CID 117232891
3-(5-chloro-4-cyclopentyloxypyrazol-1-yl)phenol
CID 117232886
3-(5-chloro-4-cyclohexyloxypyrazol-1-yl)phenol
CID 117232892
1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid
CID 117233178
4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117232958
5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
CID 82093610
1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361451
4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232657
4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232718
N-cyclopentyl-1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936868

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid (CID 117232936) is 4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid is O=C(O)c1c(OC2CCCC2)cnn1-c1cccc(F)c1.
What is the InChIKey of 4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid?
The InChIKey is HMZHTOYODLLTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-10-4-3-5-11(8-10)18-14(15(19)20)13(9-17-18)21-12-6-1-2-7-12/h3-5,8-9,12H,1-2,6-7H2,(H,19,20).
What are the key properties of 4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid?
4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 117232936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).