2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid

C13H14N2O3 — CID 82479288

IUPAC2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid
SMILESCOc1ccc(-c2cc(CC(=O)O)nn2C)cc1
InChIInChI=1S/C13H14N2O3/c1-15-12(7-10(14-15)8-13(16)17)9-3-5-11(18-2)6-4-9/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyVFUFAKFENGTFAH-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.72
Rot. Bonds4

About 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid

2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid (PubChem CID 82479288) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid
PubChem CID82479288
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid
SMILESCOc1ccc(-c2cc(CC(=O)O)nn2C)cc1
InChIInChI=1S/C13H14N2O3/c1-15-12(7-10(14-15)8-13(16)17)9-3-5-11(18-2)6-4-9/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyVFUFAKFENGTFAH-UHFFFAOYSA-N
XLogP1.72
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159155
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82071880
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82484421
5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 7219874
3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole
CID 135066490
N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336301
2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 86762670
N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336303
1-[4-[5-(4-methoxyphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 110336273
1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 71797550
3-isocyanato-5-(4-methoxyphenyl)-1-methylpyrazole
CID 83918297
5-(4-methoxyphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104570

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid?
The IUPAC name of 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid (CID 82479288) is 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid is COc1ccc(-c2cc(CC(=O)O)nn2C)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid?
The InChIKey is VFUFAKFENGTFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-15-12(7-10(14-15)8-13(16)17)9-3-5-11(18-2)6-4-9/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid?
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid has a molecular weight of 246.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid is sourced from PubChem (CID 82479288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).