5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole

C15H20N2O — CID 119059298

IUPAC5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole
SMILESCCc1c(-c2ccc(C(C)OC)cc2)cnn1C
InChIInChI=1S/C15H20N2O/c1-5-15-14(10-16-17(15)3)13-8-6-12(7-9-13)11(2)18-4/h6-11H,5H2,1-4H3
InChIKeyGXUIKQLVDKKVSZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.36
Rot. Bonds4

About 5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole

5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole (PubChem CID 119059298) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole
PubChem CID119059298
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole
SMILESCCc1c(-c2ccc(C(C)OC)cc2)cnn1C
InChIInChI=1S/C15H20N2O/c1-5-15-14(10-16-17(15)3)13-8-6-12(7-9-13)11(2)18-4/h6-11H,5H2,1-4H3
InChIKeyGXUIKQLVDKKVSZ-UHFFFAOYSA-N
XLogP3.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole?
The IUPAC name of 5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole (CID 119059298) is 5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole.
What is the SMILES notation for 5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole?
The canonical SMILES for 5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole is CCc1c(-c2ccc(C(C)OC)cc2)cnn1C.
What is the InChIKey of 5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole?
The InChIKey is GXUIKQLVDKKVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-15-14(10-16-17(15)3)13-8-6-12(7-9-13)11(2)18-4/h6-11H,5H2,1-4H3.
What are the key properties of 5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole?
5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole has a molecular weight of 244.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[4-(1-methoxyethyl)phenyl]-1-methylpyrazole is sourced from PubChem (CID 119059298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).