2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid

C13H14N2O4 — CID 115069138

IUPAC2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
SMILESCOc1ccc(-n2ncc(CC(=O)O)c2OC)cc1
InChIInChI=1S/C13H14N2O4/c1-18-11-5-3-10(4-6-11)15-13(19-2)9(8-14-15)7-12(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyXNZQSJHWOAQXOB-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.52
Rot. Bonds5

About 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid

2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid (PubChem CID 115069138) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
PubChem CID115069138
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
SMILESCOc1ccc(-n2ncc(CC(=O)O)c2OC)cc1
InChIInChI=1S/C13H14N2O4/c1-18-11-5-3-10(4-6-11)15-13(19-2)9(8-14-15)7-12(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyXNZQSJHWOAQXOB-UHFFFAOYSA-N
XLogP1.52
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol
CID 115069112
2-[1-(3-chlorophenyl)-5-methoxypyrazol-4-yl]acetic acid
CID 115069043
2-[5-methoxy-1-(2-methylphenyl)pyrazol-4-yl]acetic acid
CID 115069088
4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117233112
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanol
CID 105490895
2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 115040037
[5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051853
2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 117124290
1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361607
4-(bromomethyl)-5-ethyl-1-(4-methoxyphenyl)pyrazole
CID 66439466
2-[2-(4-methoxyphenyl)pyrazol-3-yl]acetamide
CID 67052553
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid (CID 115069138) is 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid is COc1ccc(-n2ncc(CC(=O)O)c2OC)cc1.
What is the InChIKey of 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid?
The InChIKey is XNZQSJHWOAQXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-18-11-5-3-10(4-6-11)15-13(19-2)9(8-14-15)7-12(16)17/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid?
2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid has a molecular weight of 262.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 115069138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).