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

C9H16N2O — CID 15154386

IUPAC1-(2-ethoxyethyl)-3,5-dimethylpyrazole
SMILESCCOCCn1nc(C)cc1C
InChIInChI=1S/C9H16N2O/c1-4-12-6-5-11-9(3)7-8(2)10-11/h7H,4-6H2,1-3H3
InChIKeyNGUGAVJPOMDAIA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.54
Rot. Bonds4

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

1-(2-ethoxyethyl)-3,5-dimethylpyrazole (PubChem CID 15154386) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3,5-dimethylpyrazole
PubChem CID15154386
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(2-ethoxyethyl)-3,5-dimethylpyrazole
SMILESCCOCCn1nc(C)cc1C
InChIInChI=1S/C9H16N2O/c1-4-12-6-5-11-9(3)7-8(2)10-11/h7H,4-6H2,1-3H3
InChIKeyNGUGAVJPOMDAIA-UHFFFAOYSA-N
XLogP1.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-ethoxyethyl)-3,5-dimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole
CID 63811735
3,5-dimethyl-1-[2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]ethyl]pyrazole
CID 122381062
1-ethyl-3,5-dimethylpyrazole
CID 565993
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111026934
2-(3,5-dimethylpyrazol-1-yl)ethyl 2-methylbutanoate
CID 134460631
2-(3,5-dimethylpyrazol-1-yl)ethyl 2,2-dimethylbutanoate
CID 126764031
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate
CID 129359467
1-(6-chlorohexyl)-3,5-dimethylpyrazole
CID 62227990
3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole
CID 63810790
6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine
CID 106800211

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-ethoxyethyl)-3,5-dimethylpyrazole (CID 15154386) is 1-(2-ethoxyethyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-ethoxyethyl)-3,5-dimethylpyrazole is CCOCCn1nc(C)cc1C.
What is the InChIKey of 1-(2-ethoxyethyl)-3,5-dimethylpyrazole?
The InChIKey is NGUGAVJPOMDAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-12-6-5-11-9(3)7-8(2)10-11/h7H,4-6H2,1-3H3.
What are the key properties of 1-(2-ethoxyethyl)-3,5-dimethylpyrazole?
1-(2-ethoxyethyl)-3,5-dimethylpyrazole has a molecular weight of 168.24 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 15154386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).