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

C14H16N2O4 — CID 117124014

IUPAC2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid
SMILESCOc1cccc(-n2nc(C)c(CC(=O)O)c2OC)c1
InChIInChI=1S/C14H16N2O4/c1-9-12(8-13(17)18)14(20-3)16(15-9)10-5-4-6-11(7-10)19-2/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyQZNCQIGPUQPUQO-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.83
Rot. Bonds5

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

2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid (PubChem CID 117124014) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid
PubChem CID117124014
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid
SMILESCOc1cccc(-n2nc(C)c(CC(=O)O)c2OC)c1
InChIInChI=1S/C14H16N2O4/c1-9-12(8-13(17)18)14(20-3)16(15-9)10-5-4-6-11(7-10)19-2/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyQZNCQIGPUQPUQO-UHFFFAOYSA-N
XLogP1.83
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 117124290
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123912
[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
CID 117123859
1-(3-chlorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117123962
2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721
2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid
CID 82390451
2-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]sulfanylacetic acid
CID 114798749
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 9033059
1-(3-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 43652213
N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide
CID 51068682
[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol
CID 39096917

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid (CID 117124014) is 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid is COc1cccc(-n2nc(C)c(CC(=O)O)c2OC)c1.
What is the InChIKey of 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid?
The InChIKey is QZNCQIGPUQPUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9-12(8-13(17)18)14(20-3)16(15-9)10-5-4-6-11(7-10)19-2/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid?
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid has a molecular weight of 276.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 117124014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).