3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine

C12H23N3O — CID 106452722

IUPAC3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine
SMILESCCCOCCn1nc(CC)c(N)c1CC
InChIInChI=1S/C12H23N3O/c1-4-8-16-9-7-15-11(6-3)12(13)10(5-2)14-15/h4-9,13H2,1-3H3
InChIKeyMXOYBWISTMQFNY-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.02
Rot. Bonds7

About 3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine

3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine (PubChem CID 106452722) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine
PubChem CID106452722
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine
SMILESCCCOCCn1nc(CC)c(N)c1CC
InChIInChI=1S/C12H23N3O/c1-4-8-16-9-7-15-11(6-3)12(13)10(5-2)14-15/h4-9,13H2,1-3H3
InChIKeyMXOYBWISTMQFNY-UHFFFAOYSA-N
XLogP2.02
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-(propoxymethyl)pyrazol-4-amine
CID 165471948
3,5-diethyl-1-(2-propoxyethyl)pyrazole-4-carbaldehyde
CID 106457360
3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine
CID 82702839
3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-amine
CID 82702206
1-[1-(2-butoxyethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82698129
3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine
CID 82702521
3,5-diethyl-1-(2-methylpropyl)pyrazol-4-amine
CID 82703146
ethyl 6-(4-amino-3,5-diethylpyrazol-1-yl)hexanoate
CID 82702685
methyl 2-(4-amino-3,5-diethylpyrazol-1-yl)acetate
CID 82703075
3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole
CID 122632892

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine?
The IUPAC name of 3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine (CID 106452722) is 3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine?
The canonical SMILES for 3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine is CCCOCCn1nc(CC)c(N)c1CC.
What is the InChIKey of 3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine?
The InChIKey is MXOYBWISTMQFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-8-16-9-7-15-11(6-3)12(13)10(5-2)14-15/h4-9,13H2,1-3H3.
What are the key properties of 3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine?
3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine has a molecular weight of 225.34 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 106452722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).