ethane;4-ethoxy-1-(4-methylphenyl)pyrazole

C14H20N2O — CID 145188888

IUPACethane;4-ethoxy-1-(4-methylphenyl)pyrazole
SMILESCC.CCOc1cnn(-c2ccc(C)cc2)c1
InChIInChI=1S/C12H14N2O.C2H6/c1-3-15-12-8-13-14(9-12)11-6-4-10(2)5-7-11;1-2/h4-9H,3H2,1-2H3;1-2H3
InChIKeyRNKHYTUDPIGGKA-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.61
Rot. Bonds3

About ethane;4-ethoxy-1-(4-methylphenyl)pyrazole

ethane;4-ethoxy-1-(4-methylphenyl)pyrazole (PubChem CID 145188888) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is ethane;4-ethoxy-1-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Nameethane;4-ethoxy-1-(4-methylphenyl)pyrazole
PubChem CID145188888
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Nameethane;4-ethoxy-1-(4-methylphenyl)pyrazole
SMILESCC.CCOc1cnn(-c2ccc(C)cc2)c1
InChIInChI=1S/C12H14N2O.C2H6/c1-3-15-12-8-13-14(9-12)11-6-4-10(2)5-7-11;1-2/h4-9H,3H2,1-2H3;1-2H3
InChIKeyRNKHYTUDPIGGKA-UHFFFAOYSA-N
XLogP3.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethoxy-1-(4-methylphenyl)pyrazole?
The IUPAC name of ethane;4-ethoxy-1-(4-methylphenyl)pyrazole (CID 145188888) is ethane;4-ethoxy-1-(4-methylphenyl)pyrazole.
What is the SMILES notation for ethane;4-ethoxy-1-(4-methylphenyl)pyrazole?
The canonical SMILES for ethane;4-ethoxy-1-(4-methylphenyl)pyrazole is CC.CCOc1cnn(-c2ccc(C)cc2)c1.
What is the InChIKey of ethane;4-ethoxy-1-(4-methylphenyl)pyrazole?
The InChIKey is RNKHYTUDPIGGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C2H6/c1-3-15-12-8-13-14(9-12)11-6-4-10(2)5-7-11;1-2/h4-9H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-ethoxy-1-(4-methylphenyl)pyrazole?
ethane;4-ethoxy-1-(4-methylphenyl)pyrazole has a molecular weight of 232.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethoxy-1-(4-methylphenyl)pyrazole is sourced from PubChem (CID 145188888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).