2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid

C12H11FN2O2 — CID 83540107

IUPAC2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid
SMILESCc1[nH]nc(-c2ccccc2F)c1CC(=O)O
InChIInChI=1S/C12H11FN2O2/c1-7-9(6-11(16)17)12(15-14-7)8-4-2-3-5-10(8)13/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyVQGLARXDWQPKSR-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.15
Rot. Bonds3

About 2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid

2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid (PubChem CID 83540107) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid
PubChem CID83540107
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid
SMILESCc1[nH]nc(-c2ccccc2F)c1CC(=O)O
InChIInChI=1S/C12H11FN2O2/c1-7-9(6-11(16)17)12(15-14-7)8-4-2-3-5-10(8)13/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyVQGLARXDWQPKSR-UHFFFAOYSA-N
XLogP2.15
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrazole-5-carboxylic acid, 3-phenyl-
CID 121025
3-benzyl-1H-pyrazole-5-carboxylic acid
CID 11041813
3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 818267
3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 940540
4-(4-Fluorobenzyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 71457071
3-(4-ethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 3524248
3-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 1085886
4-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid
CID 3156991
4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 56840672
4-[[3-(2-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 71449914
5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid
CID 71449922
4-[(3-carbamoylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 71449923

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid (CID 83540107) is 2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid is Cc1[nH]nc(-c2ccccc2F)c1CC(=O)O.
What is the InChIKey of 2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid?
The InChIKey is VQGLARXDWQPKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7-9(6-11(16)17)12(15-14-7)8-4-2-3-5-10(8)13/h2-5H,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid?
2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid has a molecular weight of 234.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetic acid is sourced from PubChem (CID 83540107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).