1-(2-methoxyethyl)-3,5-dimethylpyrazole

C8H14N2O — CID 21014234

IUPAC1-(2-methoxyethyl)-3,5-dimethylpyrazole
SMILESCOCCn1nc(C)cc1C
InChIInChI=1S/C8H14N2O/c1-7-6-8(2)10(9-7)4-5-11-3/h6H,4-5H2,1-3H3
InChIKeyDZZHQBNWJSQQCE-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.15
Rot. Bonds3

About 1-(2-methoxyethyl)-3,5-dimethylpyrazole

1-(2-methoxyethyl)-3,5-dimethylpyrazole (PubChem CID 21014234) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,5-dimethylpyrazole
PubChem CID21014234
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(2-methoxyethyl)-3,5-dimethylpyrazole
SMILESCOCCn1nc(C)cc1C
InChIInChI=1S/C8H14N2O/c1-7-6-8(2)10(9-7)4-5-11-3/h6H,4-5H2,1-3H3
InChIKeyDZZHQBNWJSQQCE-UHFFFAOYSA-N
XLogP1.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethylpyrazol-1-methanol
CID 96393
(3,5-Dimethyl-1H-pyrazol-1-yl)acetic acid
CID 572875
1-Allyl-3,5-dimethylpyrazole
CID 25930
2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 2056783
1,3,5-Trimethylpyrazole
CID 14081
1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester
CID 667902
3,5-dimethyl-1-octyl-1H-pyrazole
CID 573081
4-[(1-Cyclohexyl-5-methylpyrazol-3-yl)methyl]morpholine
CID 155519936
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
2,8,9-Trioxa-5-aza-1-germabicyclo(3.3.3)undecane, 1-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-
CID 16684629
4-bromo-1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole
CID 62129265

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-methoxyethyl)-3,5-dimethylpyrazole (CID 21014234) is 1-(2-methoxyethyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-methoxyethyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-methoxyethyl)-3,5-dimethylpyrazole is COCCn1nc(C)cc1C.
What is the InChIKey of 1-(2-methoxyethyl)-3,5-dimethylpyrazole?
The InChIKey is DZZHQBNWJSQQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7-6-8(2)10(9-7)4-5-11-3/h6H,4-5H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-3,5-dimethylpyrazole?
1-(2-methoxyethyl)-3,5-dimethylpyrazole has a molecular weight of 154.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 21014234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).