5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole

C15H20N2O — CID 83057632

IUPAC5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)cc1COc1c(C)cccc1C
InChIInChI=1S/C15H20N2O/c1-5-17-14(9-13(4)16-17)10-18-15-11(2)7-6-8-12(15)3/h6-9H,5,10H2,1-4H3
InChIKeyQOZQBEGVMLXPEV-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.41
Rot. Bonds4

About 5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole

5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole (PubChem CID 83057632) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole
PubChem CID83057632
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)cc1COc1c(C)cccc1C
InChIInChI=1S/C15H20N2O/c1-5-17-14(9-13(4)16-17)10-18-15-11(2)7-6-8-12(15)3/h6-9H,5,10H2,1-4H3
InChIKeyQOZQBEGVMLXPEV-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole?
The IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole (CID 83057632) is 5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole.
What is the SMILES notation for 5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole?
The canonical SMILES for 5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole is CCn1nc(C)cc1COc1c(C)cccc1C.
What is the InChIKey of 5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole?
The InChIKey is QOZQBEGVMLXPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-17-14(9-13(4)16-17)10-18-15-11(2)7-6-8-12(15)3/h6-9H,5,10H2,1-4H3.
What are the key properties of 5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole?
5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole has a molecular weight of 244.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole is sourced from PubChem (CID 83057632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).