2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid

Name: 2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₃FN₂O₂ — CID 114560318

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid

SMILESCCCn1nccc1-c1cccc(F)c1C(=O)O

InChIInChI=1S/C13H13FN2O2/c1-2-8-16-11(6-7-15-16)9-4-3-5-10(14)12(9)13(17)18/h3-7H,2,8H2,1H3,(H,17,18)

InChIKeyAYEGAGLZMOVLCR-UHFFFAOYSA-N

MW248.26 g/mol

LogP2.80

Rot. Bonds4

About 2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid

2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid (PubChem CID 114560318) has the molecular formula C₁₃H₁₃FN₂O₂ and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid.

Molecular Properties

Compound Name	2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid
PubChem CID	114560318
Molecular Formula	C₁₃H₁₃FN₂O₂
Molecular Weight	248.26 g/mol
Exact Mass	248.10
IUPAC Name	2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid
SMILES	CCCn1nccc1-c1cccc(F)c1C(=O)O
InChI	InChI=1S/C13H13FN2O2/c1-2-8-16-11(6-7-15-16)9-4-3-5-10(14)12(9)13(17)18/h3-7H,2,8H2,1H3,(H,17,18)
InChIKey	AYEGAGLZMOVLCR-UHFFFAOYSA-N
XLogP	2.80
TPSA	55.12 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.26
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid?

The IUPAC name of 2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid (CID 114560318) is 2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid.

What is the SMILES notation for 2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid?

The canonical SMILES for 2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid is CCCn1nccc1-c1cccc(F)c1C(=O)O.

What is the InChIKey of 2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid?

The InChIKey is AYEGAGLZMOVLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-2-8-16-11(6-7-15-16)9-4-3-5-10(14)12(9)13(17)18/h3-7H,2,8H2,1H3,(H,17,18).

What are the key properties of 2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid?

2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid has a molecular weight of 248.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid is sourced from PubChem (CID 114560318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 114560318 — identifiers, structure, computed properties (public domain)

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