2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid

C12H11FN2O2 — CID 115040037

IUPAC2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
SMILESCc1ccc(-n2ncc(CC(=O)O)c2F)cc1
InChIInChI=1S/C12H11FN2O2/c1-8-2-4-10(5-3-8)15-12(13)9(7-14-15)6-11(16)17/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyVTEXLZVQAGPECC-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.95
Rot. Bonds3

About 2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid

2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid (PubChem CID 115040037) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
PubChem CID115040037
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
SMILESCc1ccc(-n2ncc(CC(=O)O)c2F)cc1
InChIInChI=1S/C12H11FN2O2/c1-8-2-4-10(5-3-8)15-12(13)9(7-14-15)6-11(16)17/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyVTEXLZVQAGPECC-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]acetic acid
CID 82527752
5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 115023285
2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 115069138
[5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol
CID 115069463
4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol
CID 115025014
2-[5-bromo-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 116817944
1-[4-(carboxymethyl)phenyl]-5-methylpyrazole-4-carboxylic acid
CID 82361094
5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
CID 115034303
2-[5-amino-1-(4-bromophenyl)pyrazol-4-yl]acetic acid
CID 115069491
N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 54982022
2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid
CID 115069490
2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propanoic acid
CID 170879426

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid (CID 115040037) is 2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid is Cc1ccc(-n2ncc(CC(=O)O)c2F)cc1.
What is the InChIKey of 2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid?
The InChIKey is VTEXLZVQAGPECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-8-2-4-10(5-3-8)15-12(13)9(7-14-15)6-11(16)17/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid?
2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid has a molecular weight of 234.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 115040037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).