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

C13H13FN2O2 — CID 114560318

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 Name2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid
PubChem CID114560318
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-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
XLogP2.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid
CID 612274
2-Pyrazolylbenzoic acid
CID 4738383
4-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid
CID 615212
1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
CID 2795474
3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 6498679
4-(1H-pyrazol-1-yl)benzoic acid
CID 736527
3-(1H-pyrazol-1-ylmethyl)benzoic acid
CID 1263648
4-(1H-pyrazol-1-ylmethyl)benzoic acid
CID 6484268
3-[4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]benzoic Acid
CID 1486675
Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl-
CID 121029
1-(4-Fluorobenzyl)-1H-indazole-3-carboxylic acid
CID 206430
1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid
CID 7537625

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).