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

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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).