2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic acid

C13H11FN2O2 — CID 79511541

IUPAC2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C13H11FN2O2/c14-9-2-1-3-11(12(9)13(17)18)16-7-6-10(15-16)8-4-5-8/h1-3,6-8H,4-5H2,(H,17,18)
InChIKeyOFYRBUKPVZQQNZ-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.59
Rot. Bonds3

About 2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic acid

2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic acid (PubChem CID 79511541) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic acid
PubChem CID79511541
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C13H11FN2O2/c14-9-2-1-3-11(12(9)13(17)18)16-7-6-10(15-16)8-4-5-8/h1-3,6-8H,4-5H2,(H,17,18)
InChIKeyOFYRBUKPVZQQNZ-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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Related Compounds

3-(3-cyclopropylpyrazol-1-yl)-2-nitrobenzoic acid
CID 115540945
1-[4-(3-cyclopropylpyrazol-1-yl)-3-fluorophenyl]ethanone
CID 62488981
5-(3-cyclopropylpyrazol-1-yl)-4-fluoro-2-nitrobenzoic acid
CID 62494806
4-amino-3-(3-cyclopropylpyrazol-1-yl)benzoic acid
CID 82795830
1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanone
CID 62488982
(1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
CID 103960386
1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 62488135
2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid
CID 79515634
2-(3-cyclopropylpyrazol-1-yl)quinoline-4-carboxylic acid
CID 62493957
2-(2,5-dimethylpiperidin-1-yl)-6-fluorobenzoic acid
CID 79511024
3-[1-(2-fluorophenyl)pyrazol-3-yl]benzoic acid
CID 11558235
1-[4-chloro-2-(3-cyclopropylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethanol
CID 154031721

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic acid?
The IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic acid (CID 79511541) is 2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic acid?
The canonical SMILES for 2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1-n1ccc(C2CC2)n1.
What is the InChIKey of 2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic acid?
The InChIKey is OFYRBUKPVZQQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-9-2-1-3-11(12(9)13(17)18)16-7-6-10(15-16)8-4-5-8/h1-3,6-8H,4-5H2,(H,17,18).
What are the key properties of 2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic acid?
2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic 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 2-(3-cyclopropylpyrazol-1-yl)-6-fluorobenzoic acid is sourced from PubChem (CID 79511541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).