4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine

C12H23N3O — CID 105175167

IUPAC4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
SMILESCCNC(CCOCC)Cc1ccn(C)n1
InChIInChI=1S/C12H23N3O/c1-4-13-11(7-9-16-5-2)10-12-6-8-15(3)14-12/h6,8,11,13H,4-5,7,9-10H2,1-3H3
InChIKeyIJVGHWKEZHSLKL-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.37
Rot. Bonds8

About 4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine

4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine (PubChem CID 105175167) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
PubChem CID105175167
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
SMILESCCNC(CCOCC)Cc1ccn(C)n1
InChIInChI=1S/C12H23N3O/c1-4-13-11(7-9-16-5-2)10-12-6-8-15(3)14-12/h6,8,11,13H,4-5,7,9-10H2,1-3H3
InChIKeyIJVGHWKEZHSLKL-UHFFFAOYSA-N
XLogP1.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.37
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

N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 105175045
1-cyclopropyl-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876237
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82876652
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82875994
N-ethyl-1-(1-methylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-amine
CID 82876645
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
1-methoxy-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876638
N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine
CID 82870752
1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 116723587
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
CID 105177818
1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine
CID 105157055
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82877543

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine (CID 105175167) is 4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine is CCNC(CCOCC)Cc1ccn(C)n1.
What is the InChIKey of 4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine?
The InChIKey is IJVGHWKEZHSLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-13-11(7-9-16-5-2)10-12-6-8-15(3)14-12/h6,8,11,13H,4-5,7,9-10H2,1-3H3.
What are the key properties of 4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine?
4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 105175167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).