2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid

C12H12N2O3 — CID 82390451

IUPAC2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid
SMILESCOc1cccc(-n2ccc(CC(=O)O)n2)c1
InChIInChI=1S/C12H12N2O3/c1-17-11-4-2-3-10(8-11)14-6-5-9(13-14)7-12(15)16/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeySUHVGSSTHWNSPF-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.51
Rot. Bonds4

About 2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid

2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid (PubChem CID 82390451) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid
PubChem CID82390451
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid
SMILESCOc1cccc(-n2ccc(CC(=O)O)n2)c1
InChIInChI=1S/C12H12N2O3/c1-17-11-4-2-3-10(8-11)14-6-5-9(13-14)7-12(15)16/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeySUHVGSSTHWNSPF-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline
CID 62886369
ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate
CID 63950822
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 117124014
3-[4-bromo-1-(3-methoxyphenyl)pyrazol-3-yl]propanoic acid
CID 116818732
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396
3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 82295157
methyl 3-[3-(bromomethyl)pyrazol-1-yl]benzoate
CID 84617522
4-(3-methoxyphenyl)-N'-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111290543
ethyl 2-[3-[[1-(3-methoxyphenyl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate
CID 157053112
3-[3-(bromomethyl)pyrazol-1-yl]benzoic acid
CID 84617491
3-[1-(3-methoxybenzoyl)pyrazol-3-yl]-1-phenylpyridazin-4-one
CID 1479688
2-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]sulfanylacetic acid
CID 114798749

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid (CID 82390451) is 2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid is COc1cccc(-n2ccc(CC(=O)O)n2)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid?
The InChIKey is SUHVGSSTHWNSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-17-11-4-2-3-10(8-11)14-6-5-9(13-14)7-12(15)16/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of 2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid?
2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid has a molecular weight of 232.24 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid is sourced from PubChem (CID 82390451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).