4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine

C12H23N3O — CID 105154955

IUPAC4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCCOCCC(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C12H23N3O/c1-4-16-8-6-11(13)9-12-5-7-15(14-12)10(2)3/h5,7,10-11H,4,6,8-9,13H2,1-3H3
InChIKeyALZBPLDQIQFMAT-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.76
Rot. Bonds7

About 4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine

4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (PubChem CID 105154955) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
PubChem CID105154955
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCCOCCC(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C12H23N3O/c1-4-16-8-6-11(13)9-12-5-7-15(14-12)10(2)3/h5,7,10-11H,4,6,8-9,13H2,1-3H3
InChIKeyALZBPLDQIQFMAT-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105154923
1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine
CID 64773654
1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 64771323
1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 65136247
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 105105618
3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 79617518
3-ethoxy-3-oxo-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propanoic acid
CID 103973541
3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116757473
1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105154877
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
CID 103454908

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (CID 105154955) is 4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is CCOCCC(N)Cc1ccn(C(C)C)n1.
What is the InChIKey of 4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The InChIKey is ALZBPLDQIQFMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-16-8-6-11(13)9-12-5-7-15(14-12)10(2)3/h5,7,10-11H,4,6,8-9,13H2,1-3H3.
What are the key properties of 4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 105154955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).