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

C16H22N2O — CID 162634400

IUPAC4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole
SMILESCCOC(C)c1ccc(-c2cnn(CC)c2C)cc1
InChIInChI=1S/C16H22N2O/c1-5-18-12(3)16(11-17-18)15-9-7-14(8-10-15)13(4)19-6-2/h7-11,13H,5-6H2,1-4H3
InChIKeyMXUIDCCNOYRROI-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.98
Rot. Bonds5

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

4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole (PubChem CID 162634400) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole.

Molecular Properties

Compound Name4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole
PubChem CID162634400
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole
SMILESCCOC(C)c1ccc(-c2cnn(CC)c2C)cc1
InChIInChI=1S/C16H22N2O/c1-5-18-12(3)16(11-17-18)15-9-7-14(8-10-15)13(4)19-6-2/h7-11,13H,5-6H2,1-4H3
InChIKeyMXUIDCCNOYRROI-UHFFFAOYSA-N
XLogP3.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole?
The IUPAC name of 4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole (CID 162634400) is 4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole.
What is the SMILES notation for 4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole?
The canonical SMILES for 4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole is CCOC(C)c1ccc(-c2cnn(CC)c2C)cc1.
What is the InChIKey of 4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole?
The InChIKey is MXUIDCCNOYRROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-18-12(3)16(11-17-18)15-9-7-14(8-10-15)13(4)19-6-2/h7-11,13H,5-6H2,1-4H3.
What are the key properties of 4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole?
4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole has a molecular weight of 258.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole is sourced from PubChem (CID 162634400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).