2-(1-cyclopentylpyrazol-3-yl)benzoic acid

C15H16N2O2 — CID 166302592

IUPAC2-(1-cyclopentylpyrazol-3-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccn(C2CCCC2)n1
InChIInChI=1S/C15H16N2O2/c18-15(19)13-8-4-3-7-12(13)14-9-10-17(16-14)11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2,(H,18,19)
InChIKeyNJQBIVDGFRNTLT-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.36
Rot. Bonds3

About 2-(1-cyclopentylpyrazol-3-yl)benzoic acid

2-(1-cyclopentylpyrazol-3-yl)benzoic acid (PubChem CID 166302592) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)benzoic acid.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)benzoic acid
PubChem CID166302592
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccn(C2CCCC2)n1
InChIInChI=1S/C15H16N2O2/c18-15(19)13-8-4-3-7-12(13)14-9-10-17(16-14)11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2,(H,18,19)
InChIKeyNJQBIVDGFRNTLT-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)benzoic acid?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)benzoic acid (CID 166302592) is 2-(1-cyclopentylpyrazol-3-yl)benzoic acid.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)benzoic acid?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)benzoic acid is O=C(O)c1ccccc1-c1ccn(C2CCCC2)n1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)benzoic acid?
The InChIKey is NJQBIVDGFRNTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(19)13-8-4-3-7-12(13)14-9-10-17(16-14)11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2,(H,18,19).
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)benzoic acid?
2-(1-cyclopentylpyrazol-3-yl)benzoic acid has a molecular weight of 256.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)benzoic acid is sourced from PubChem (CID 166302592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).