4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole

C13H16N2O2 — CID 116794086

IUPAC4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole
SMILESCOc1ccc(CCOc2cnn(C)c2)cc1
InChIInChI=1S/C13H16N2O2/c1-15-10-13(9-14-15)17-8-7-11-3-5-12(16-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMNFQFQRQWNOJLJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.05
Rot. Bonds5

About 4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole

4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole (PubChem CID 116794086) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole
PubChem CID116794086
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole
SMILESCOc1ccc(CCOc2cnn(C)c2)cc1
InChIInChI=1S/C13H16N2O2/c1-15-10-13(9-14-15)17-8-7-11-3-5-12(16-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMNFQFQRQWNOJLJ-UHFFFAOYSA-N
XLogP2.05
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103844540
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43124177
4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
CID 103792119
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
4-(1-methylpyrazol-4-yl)oxybutane-1-thiol
CID 116794342
2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine
CID 116793733
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
[2-bromo-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999884
trifluoro-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]boranuide
CID 103003926
1-methyl-4-(2-propoxyethoxy)pyrazole
CID 106458442
1-methyl-4-phenylmethoxypyrazole
CID 84661432

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole (CID 116794086) is 4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole is COc1ccc(CCOc2cnn(C)c2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole?
The InChIKey is MNFQFQRQWNOJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15-10-13(9-14-15)17-8-7-11-3-5-12(16-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole?
4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole has a molecular weight of 232.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole is sourced from PubChem (CID 116794086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).