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

C14H16N2O3 — CID 82301593

IUPAC2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid
SMILESCOc1cc(C)c(-c2[nH]ncc2CC(=O)O)cc1C
InChIInChI=1S/C14H16N2O3/c1-8-5-12(19-3)9(2)4-11(8)14-10(6-13(17)18)7-15-16-14/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyUWGVAUKLDIQXDJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.33
Rot. Bonds4

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

2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid (PubChem CID 82301593) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid
PubChem CID82301593
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid
SMILESCOc1cc(C)c(-c2[nH]ncc2CC(=O)O)cc1C
InChIInChI=1S/C14H16N2O3/c1-8-5-12(19-3)9(2)4-11(8)14-10(6-13(17)18)7-15-16-14/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyUWGVAUKLDIQXDJ-UHFFFAOYSA-N
XLogP2.33
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302593
2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82297374
2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302588
2-[4-bromo-3-(2-methoxy-4,5-dimethylphenyl)-1H-pyrazol-5-yl]acetic acid
CID 84611874
4-bromo-3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 116858182
5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole
CID 116869027
2-amino-3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]propanoic acid
CID 170879716
2-[2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 84611862
2-[3-(iodomethyl)-4-methoxyphenyl]acetic acid
CID 147269305
5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82295152
2-(5-methoxycarbonyl-1H-pyrazol-4-yl)acetic acid
CID 83876349
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid (CID 82301593) is 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid is COc1cc(C)c(-c2[nH]ncc2CC(=O)O)cc1C.
What is the InChIKey of 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid?
The InChIKey is UWGVAUKLDIQXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-5-12(19-3)9(2)4-11(8)14-10(6-13(17)18)7-15-16-14/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid?
2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid is sourced from PubChem (CID 82301593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).