2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine

C13H25N3O — CID 63071239

IUPAC2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine
SMILESCCOC(CN)CCn1nc(C)c(CC)c1C
InChIInChI=1S/C13H25N3O/c1-5-13-10(3)15-16(11(13)4)8-7-12(9-14)17-6-2/h12H,5-9,14H2,1-4H3
InChIKeyPZJRANBGLGAXAQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.82
Rot. Bonds7

About 2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine

2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine (PubChem CID 63071239) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine
PubChem CID63071239
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine
SMILESCCOC(CN)CCn1nc(C)c(CC)c1C
InChIInChI=1S/C13H25N3O/c1-5-13-10(3)15-16(11(13)4)8-7-12(9-14)17-6-2/h12H,5-9,14H2,1-4H3
InChIKeyPZJRANBGLGAXAQ-UHFFFAOYSA-N
XLogP1.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-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

2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol
CID 64811343
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine
CID 62564933
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-1-ol
CID 62229176
1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol
CID 64821440
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine
CID 62567200
2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine
CID 63072558
1-(2-azidoethyl)-4-ethyl-3,5-dimethylpyrazole
CID 61396466
6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine
CID 106800316
1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol
CID 64821238
ethyl (E)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)but-2-enoate
CID 80546692
2-amino-2-ethyl-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-1-ol
CID 106810069

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine (CID 63071239) is 2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine is CCOC(CN)CCn1nc(C)c(CC)c1C.
What is the InChIKey of 2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine?
The InChIKey is PZJRANBGLGAXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-13-10(3)15-16(11(13)4)8-7-12(9-14)17-6-2/h12H,5-9,14H2,1-4H3.
What are the key properties of 2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine?
2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine is sourced from PubChem (CID 63071239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).