5-ethoxy-1,3,4-trimethylpyrazole

C8H14N2O — CID 6422600

IUPAC5-ethoxy-1,3,4-trimethylpyrazole
SMILESCCOc1c(C)c(C)nn1C
InChIInChI=1S/C8H14N2O/c1-5-11-8-6(2)7(3)9-10(8)4/h5H2,1-4H3
InChIKeyDYZHNHKWTOFRDG-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.44
Rot. Bonds2

About 5-ethoxy-1,3,4-trimethylpyrazole

5-ethoxy-1,3,4-trimethylpyrazole (PubChem CID 6422600) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-ethoxy-1,3,4-trimethylpyrazole.

Molecular Properties

Compound Name5-ethoxy-1,3,4-trimethylpyrazole
PubChem CID6422600
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-ethoxy-1,3,4-trimethylpyrazole
SMILESCCOc1c(C)c(C)nn1C
InChIInChI=1S/C8H14N2O/c1-5-11-8-6(2)7(3)9-10(8)4/h5H2,1-4H3
InChIKeyDYZHNHKWTOFRDG-UHFFFAOYSA-N
XLogP1.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethoxy-1,3-dimethyl-1H-pyrazole
CID 6422219
(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methanamine
CID 28965606
5-(Difluoromethoxy)-1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazole
CID 23075667
Pyrazole, 3-ethoxy-1,5-dimethyl-
CID 15447206
3-[(1,3-dimethyl-1H-pyrazol-5-yl)oxy]propan-1-amine
CID 81346017
1,3-Dimethyl-5-(1-methylethoxy)-1H-pyrazole
CID 53918670
5-(2-Cyclopentylethoxy)-1,3,4-trimethylpyrazole
CID 119052331
5-Ethoxy-1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-4-methyl-3-(trifluoromethyl)pyrazole
CID 12545119
5-ethoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CID 1485578
5-ethoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 12086302
5-(Difluoromethoxy)-1,3,4-trimethylpyrazole
CID 21353511
1,4-dimethyl-5-(2,2-difluoroethoxy)-3-trifluoromethyl-1H-pyrazole
CID 23075685

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,3,4-trimethylpyrazole?
The IUPAC name of 5-ethoxy-1,3,4-trimethylpyrazole (CID 6422600) is 5-ethoxy-1,3,4-trimethylpyrazole.
What is the SMILES notation for 5-ethoxy-1,3,4-trimethylpyrazole?
The canonical SMILES for 5-ethoxy-1,3,4-trimethylpyrazole is CCOc1c(C)c(C)nn1C.
What is the InChIKey of 5-ethoxy-1,3,4-trimethylpyrazole?
The InChIKey is DYZHNHKWTOFRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-11-8-6(2)7(3)9-10(8)4/h5H2,1-4H3.
What are the key properties of 5-ethoxy-1,3,4-trimethylpyrazole?
5-ethoxy-1,3,4-trimethylpyrazole has a molecular weight of 154.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,3,4-trimethylpyrazole is sourced from PubChem (CID 6422600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).