5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole

C13H16N2O — CID 45094433

IUPAC5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole
SMILESCCOc1cc(C)nn1-c1ccccc1C
InChIInChI=1S/C13H16N2O/c1-4-16-13-9-11(3)14-15(13)12-8-6-5-7-10(12)2/h5-9H,4H2,1-3H3
InChIKeyWKVBVOXLDSSNSG-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.89
Rot. Bonds3

About 5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole

5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole (PubChem CID 45094433) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole.

Molecular Properties

Compound Name5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole
PubChem CID45094433
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole
SMILESCCOc1cc(C)nn1-c1ccccc1C
InChIInChI=1S/C13H16N2O/c1-4-16-13-9-11(3)14-15(13)12-8-6-5-7-10(12)2/h5-9H,4H2,1-3H3
InChIKeyWKVBVOXLDSSNSG-UHFFFAOYSA-N
XLogP2.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole?
The IUPAC name of 5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole (CID 45094433) is 5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole.
What is the SMILES notation for 5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole?
The canonical SMILES for 5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole is CCOc1cc(C)nn1-c1ccccc1C.
What is the InChIKey of 5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole?
The InChIKey is WKVBVOXLDSSNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-16-13-9-11(3)14-15(13)12-8-6-5-7-10(12)2/h5-9H,4H2,1-3H3.
What are the key properties of 5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole?
5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole has a molecular weight of 216.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-1-(2-methylphenyl)pyrazole is sourced from PubChem (CID 45094433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).