2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid

C13H14N2O4 — CID 82302593

IUPAC2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
SMILESCOc1ccc(OC)c(-c2[nH]ncc2CC(=O)O)c1
InChIInChI=1S/C13H14N2O4/c1-18-9-3-4-11(19-2)10(6-9)13-8(5-12(16)17)7-14-15-13/h3-4,6-7H,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFYIJDEMGDWLPDV-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.72
Rot. Bonds5

About 2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid

2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid (PubChem CID 82302593) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
PubChem CID82302593
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
SMILESCOc1ccc(OC)c(-c2[nH]ncc2CC(=O)O)c1
InChIInChI=1S/C13H14N2O4/c1-18-9-3-4-11(19-2)10(6-9)13-8(5-12(16)17)7-14-15-13/h3-4,6-7H,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFYIJDEMGDWLPDV-UHFFFAOYSA-N
XLogP1.72
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82297374
2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82301593
2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302588
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 28806166
2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid
CID 82488923
3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid
CID 4233238
2-[2-(2,5-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4021038
N'-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303532
2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid
CID 176513629
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79485412
2-[2-(2,5-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 4588074
2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid
CID 4262212

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid (CID 82302593) is 2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid is COc1ccc(OC)c(-c2[nH]ncc2CC(=O)O)c1.
What is the InChIKey of 2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid?
The InChIKey is FYIJDEMGDWLPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-18-9-3-4-11(19-2)10(6-9)13-8(5-12(16)17)7-14-15-13/h3-4,6-7H,5H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid?
2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid has a molecular weight of 262.26 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid is sourced from PubChem (CID 82302593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).