1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine

C12H23N3O — CID 62731510

IUPAC1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine
SMILESCCCCOCCn1cc(CC(C)N)cn1
InChIInChI=1S/C12H23N3O/c1-3-4-6-16-7-5-15-10-12(9-14-15)8-11(2)13/h9-11H,3-8,13H2,1-2H3
InChIKeyOQAVWSXUYKJFGC-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.59
Rot. Bonds8

About 1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine

1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine (PubChem CID 62731510) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine
PubChem CID62731510
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine
SMILESCCCCOCCn1cc(CC(C)N)cn1
InChIInChI=1S/C12H23N3O/c1-3-4-6-16-7-5-15-10-12(9-14-15)8-11(2)13/h9-11H,3-8,13H2,1-2H3
InChIKeyOQAVWSXUYKJFGC-UHFFFAOYSA-N
XLogP1.59
TPSA53.07 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 ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine (CID 62731510) is 1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine is CCCCOCCn1cc(CC(C)N)cn1.
What is the InChIKey of 1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine?
The InChIKey is OQAVWSXUYKJFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-4-6-16-7-5-15-10-12(9-14-15)8-11(2)13/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine?
1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 62731510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).