3-pyrazol-1-ylbutan-2-amine

C7H13N3 — CID 16641631

IUPAC3-pyrazol-1-ylbutan-2-amine
SMILESCC(N)C(C)n1cccn1
InChIInChI=1S/C7H13N3/c1-6(8)7(2)10-5-3-4-9-10/h3-7H,8H2,1-2H3
InChIKeyJUJSJFUYRXZKCK-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.79
Rot. Bonds2

About 3-pyrazol-1-ylbutan-2-amine

3-pyrazol-1-ylbutan-2-amine (PubChem CID 16641631) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name3-pyrazol-1-ylbutan-2-amine
PubChem CID16641631
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-pyrazol-1-ylbutan-2-amine
SMILESCC(N)C(C)n1cccn1
InChIInChI=1S/C7H13N3/c1-6(8)7(2)10-5-3-4-9-10/h3-7H,8H2,1-2H3
InChIKeyJUJSJFUYRXZKCK-UHFFFAOYSA-N
XLogP0.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-ylbutan-2-amine?
The IUPAC name of 3-pyrazol-1-ylbutan-2-amine (CID 16641631) is 3-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for 3-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for 3-pyrazol-1-ylbutan-2-amine is CC(N)C(C)n1cccn1.
What is the InChIKey of 3-pyrazol-1-ylbutan-2-amine?
The InChIKey is JUJSJFUYRXZKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(8)7(2)10-5-3-4-9-10/h3-7H,8H2,1-2H3.
What are the key properties of 3-pyrazol-1-ylbutan-2-amine?
3-pyrazol-1-ylbutan-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 16641631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).