3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine

C11H21N3O — CID 165471948

IUPAC3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine
SMILESCCCOCn1nc(CC)c(N)c1CC
InChIInChI=1S/C11H21N3O/c1-4-7-15-8-14-10(6-3)11(12)9(5-2)13-14/h4-8,12H2,1-3H3
InChIKeyNSLHZEJJPIIMGT-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.97
Rot. Bonds6

About 3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine

3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine (PubChem CID 165471948) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine
PubChem CID165471948
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine
SMILESCCCOCn1nc(CC)c(N)c1CC
InChIInChI=1S/C11H21N3O/c1-4-7-15-8-14-10(6-3)11(12)9(5-2)13-14/h4-8,12H2,1-3H3
InChIKeyNSLHZEJJPIIMGT-UHFFFAOYSA-N
XLogP1.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine 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-diethyl-1-(2-propoxyethyl)pyrazol-4-amine
CID 106452722
1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine
CID 82702120
3,5-diethyl-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine
CID 82702606
3,5-diethyl-1-(2-methylpropyl)pyrazol-4-amine
CID 82703146
3-ethyl-1-(propoxymethyl)indazole
CID 70846953
methyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate
CID 82703075
3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine
CID 82702839
1-benzyl-3,5-diethylpyrazol-4-amine
CID 82702837
3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine
CID 82702521
3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-amine
CID 82702206
3-(4-amino-3,5-diethylpyrazol-1-yl)-2-methylpropanamide
CID 82702680
ethyl 6-(4-amino-3,5-diethylpyrazol-1-yl)hexanoate
CID 82702685

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine?
The IUPAC name of 3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine (CID 165471948) is 3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine?
The canonical SMILES for 3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine is CCCOCn1nc(CC)c(N)c1CC.
What is the InChIKey of 3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine?
The InChIKey is NSLHZEJJPIIMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-7-15-8-14-10(6-3)11(12)9(5-2)13-14/h4-8,12H2,1-3H3.
What are the key properties of 3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine?
3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine has a molecular weight of 211.31 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(propoxymethyl)pyrazol-4-amine is sourced from PubChem (CID 165471948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).