4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid

C14H16N2O4 — CID 102999412

IUPAC4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
SMILESCOc1ccc(C(=O)O)c(OCCc2ccnn2C)c1
InChIInChI=1S/C14H16N2O4/c1-16-10(5-7-15-16)6-8-20-13-9-11(19-2)3-4-12(13)14(17)18/h3-5,7,9H,6,8H2,1-2H3,(H,17,18)
InChIKeyALYSWVWWIMPXIL-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.75
Rot. Bonds6

About 4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid

4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid (PubChem CID 102999412) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
PubChem CID102999412
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
SMILESCOc1ccc(C(=O)O)c(OCCc2ccnn2C)c1
InChIInChI=1S/C14H16N2O4/c1-16-10(5-7-15-16)6-8-20-13-9-11(19-2)3-4-12(13)14(17)18/h3-5,7,9H,6,8H2,1-2H3,(H,17,18)
InChIKeyALYSWVWWIMPXIL-UHFFFAOYSA-N
XLogP1.75
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003740
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone
CID 103002738
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid
CID 103268835
2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid
CID 61379508
2-(3-amino-3-oxopropoxy)-4-methoxybenzoic acid
CID 60712906
2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid
CID 91034439
3-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
CID 103002882
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
(NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 103003106
2-hydroxy-5-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693736

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid?
The IUPAC name of 4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid (CID 102999412) is 4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid?
The canonical SMILES for 4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid is COc1ccc(C(=O)O)c(OCCc2ccnn2C)c1.
What is the InChIKey of 4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid?
The InChIKey is ALYSWVWWIMPXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-16-10(5-7-15-16)6-8-20-13-9-11(19-2)3-4-12(13)14(17)18/h3-5,7,9H,6,8H2,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid?
4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid is sourced from PubChem (CID 102999412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).