2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid

C13H14N2O4 — CID 82302588

IUPAC2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
SMILESCOc1ccc(-c2[nH]ncc2CC(=O)O)cc1OC
InChIInChI=1S/C13H14N2O4/c1-18-10-4-3-8(5-11(10)19-2)13-9(6-12(16)17)7-14-15-13/h3-5,7H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyHOYLXELFDPXFKV-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.72
Rot. Bonds5

About 2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid

2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid (PubChem CID 82302588) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
PubChem CID82302588
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
SMILESCOc1ccc(-c2[nH]ncc2CC(=O)O)cc1OC
InChIInChI=1S/C13H14N2O4/c1-18-10-4-3-8(5-11(10)19-2)13-9(6-12(16)17)7-14-15-13/h3-5,7H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyHOYLXELFDPXFKV-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-amino-3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]propanoic acid
CID 170879716
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-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82301593
2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid
CID 105498355
5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)-1H-pyrazole-4-carboxamide
CID 91639554
5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 100906875
N-(cyclohexylmethyl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 71824298
(3S)-4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one
CID 95206781
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
2-[2-(3,4-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4620548
5-(3-ethyl-4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 71565110

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid (CID 82302588) is 2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid is COc1ccc(-c2[nH]ncc2CC(=O)O)cc1OC.
What is the InChIKey of 2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid?
The InChIKey is HOYLXELFDPXFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-18-10-4-3-8(5-11(10)19-2)13-9(6-12(16)17)7-14-15-13/h3-5,7H,6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid?
2-[5-(3,4-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-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid is sourced from PubChem (CID 82302588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).