2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid

C14H16N2O3 — CID 117124290

IUPAC2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
SMILESCOc1c(CC(=O)O)c(C)nn1-c1ccc(C)cc1
InChIInChI=1S/C14H16N2O3/c1-9-4-6-11(7-5-9)16-14(19-3)12(8-13(17)18)10(2)15-16/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyMPHGLXFKWDDYFZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.12
Rot. Bonds4

About 2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid

2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid (PubChem CID 117124290) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
PubChem CID117124290
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
SMILESCOc1c(CC(=O)O)c(C)nn1-c1ccc(C)cc1
InChIInChI=1S/C14H16N2O3/c1-9-4-6-11(7-5-9)16-14(19-3)12(8-13(17)18)10(2)15-16/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyMPHGLXFKWDDYFZ-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 117124014
2-[5-bromo-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 116817944
2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475
[3-ethyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 117124151
2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrano[3,2-d]pyrazol-5-yl]acetic acid
CID 50888643
2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 115069138
1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117124258
2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol
CID 117124112
2-[1-(4-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117124197
2-[1-[4-(hydroxycarbamoylamino)phenyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 175229448
2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 116817945
3-[3,5-dimethyl-1-(4-phenylphenyl)pyrazol-4-yl]propanoic acid
CID 97036198

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid (CID 117124290) is 2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid is COc1c(CC(=O)O)c(C)nn1-c1ccc(C)cc1.
What is the InChIKey of 2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid?
The InChIKey is MPHGLXFKWDDYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-4-6-11(7-5-9)16-14(19-3)12(8-13(17)18)10(2)15-16/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid?
2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 117124290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).