5-ethoxy-1-methyl-3-propylpyrazol-4-amine

C9H17N3O — CID 66019111

IUPAC5-ethoxy-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(OCC)c1N
InChIInChI=1S/C9H17N3O/c1-4-6-7-8(10)9(13-5-2)12(3)11-7/h4-6,10H2,1-3H3
InChIKeyHOFUMZCNJIIUDB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.35
Rot. Bonds4

About 5-ethoxy-1-methyl-3-propylpyrazol-4-amine

5-ethoxy-1-methyl-3-propylpyrazol-4-amine (PubChem CID 66019111) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-ethoxy-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-ethoxy-1-methyl-3-propylpyrazol-4-amine
PubChem CID66019111
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name5-ethoxy-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(OCC)c1N
InChIInChI=1S/C9H17N3O/c1-4-6-7-8(10)9(13-5-2)12(3)11-7/h4-6,10H2,1-3H3
InChIKeyHOFUMZCNJIIUDB-UHFFFAOYSA-N
XLogP1.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethoxy-1-methyl-3-propylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-ethoxy-1-methyl-3-propylpyrazol-4-amine (CID 66019111) is 5-ethoxy-1-methyl-3-propylpyrazol-4-amine.
What is the SMILES notation for 5-ethoxy-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-ethoxy-1-methyl-3-propylpyrazol-4-amine is CCCc1nn(C)c(OCC)c1N.
What is the InChIKey of 5-ethoxy-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is HOFUMZCNJIIUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-6-7-8(10)9(13-5-2)12(3)11-7/h4-6,10H2,1-3H3.
What are the key properties of 5-ethoxy-1-methyl-3-propylpyrazol-4-amine?
5-ethoxy-1-methyl-3-propylpyrazol-4-amine has a molecular weight of 183.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 66019111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).