5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole

C13H16N2O2 — CID 14385318

IUPAC5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole
SMILESCCOc1cc(C)nn1-c1ccc(OC)cc1
InChIInChI=1S/C13H16N2O2/c1-4-17-13-9-10(2)14-15(13)11-5-7-12(16-3)8-6-11/h5-9H,4H2,1-3H3
InChIKeyYNDSTVXIBWIUAY-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.59
Rot. Bonds4

About 5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole

5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole (PubChem CID 14385318) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole.

Molecular Properties

Compound Name5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole
PubChem CID14385318
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole
SMILESCCOc1cc(C)nn1-c1ccc(OC)cc1
InChIInChI=1S/C13H16N2O2/c1-4-17-13-9-10(2)14-15(13)11-5-7-12(16-3)8-6-11/h5-9H,4H2,1-3H3
InChIKeyYNDSTVXIBWIUAY-UHFFFAOYSA-N
XLogP2.59
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole?
The IUPAC name of 5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole (CID 14385318) is 5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole.
What is the SMILES notation for 5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole?
The canonical SMILES for 5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole is CCOc1cc(C)nn1-c1ccc(OC)cc1.
What is the InChIKey of 5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole?
The InChIKey is YNDSTVXIBWIUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-17-13-9-10(2)14-15(13)11-5-7-12(16-3)8-6-11/h5-9H,4H2,1-3H3.
What are the key properties of 5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole?
5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole has a molecular weight of 232.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(4-methoxyphenyl)-3-methylpyrazole is sourced from PubChem (CID 14385318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).