2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid

C13H14N2O2 — CID 66938119

IUPAC2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid
SMILESCCc1ccccc1-n1cc(CC(=O)O)cn1
InChIInChI=1S/C13H14N2O2/c1-2-11-5-3-4-6-12(11)15-9-10(8-14-15)7-13(16)17/h3-6,8-9H,2,7H2,1H3,(H,16,17)
InChIKeyZJZCRIXHLFEZJG-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.06
Rot. Bonds4

About 2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid

2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid (PubChem CID 66938119) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid
PubChem CID66938119
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid
SMILESCCc1ccccc1-n1cc(CC(=O)O)cn1
InChIInChI=1S/C13H14N2O2/c1-2-11-5-3-4-6-12(11)15-9-10(8-14-15)7-13(16)17/h3-6,8-9H,2,7H2,1H3,(H,16,17)
InChIKeyZJZCRIXHLFEZJG-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methylphenyl)pyrazol-4-yl]acetic acid
CID 83887006
2-(4-ethylpyrazol-1-yl)aniline
CID 84770437
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide
CID 18152383
1-[4-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperazin-1-yl]ethanone
CID 110121762
1-(2-ethylphenyl)-4-formylpyrazole-3-carboxylic acid
CID 82130337
[2-(4-chloropyrazol-1-yl)phenyl]methanol
CID 61035792
1-(2-ethylphenyl)-4-oxopyridazine-3-carboxylic acid
CID 63951805

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid (CID 66938119) is 2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid is CCc1ccccc1-n1cc(CC(=O)O)cn1.
What is the InChIKey of 2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid?
The InChIKey is ZJZCRIXHLFEZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-11-5-3-4-6-12(11)15-9-10(8-14-15)7-13(16)17/h3-6,8-9H,2,7H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid?
2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid has a molecular weight of 230.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylphenyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 66938119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).