1-butan-2-ylpyrazol-4-amine

C7H13N3 — CID 43209204

IUPAC1-butan-2-ylpyrazol-4-amine
SMILESCCC(C)n1cc(N)cn1
InChIInChI=1S/C7H13N3/c1-3-6(2)10-5-7(8)4-9-10/h4-6H,3,8H2,1-2H3
InChIKeyFKHODAIYDXUBOE-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.44
Rot. Bonds2

About 1-butan-2-ylpyrazol-4-amine

1-butan-2-ylpyrazol-4-amine (PubChem CID 43209204) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-butan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-butan-2-ylpyrazol-4-amine
PubChem CID43209204
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-butan-2-ylpyrazol-4-amine
SMILESCCC(C)n1cc(N)cn1
InChIInChI=1S/C7H13N3/c1-3-6(2)10-5-7(8)4-9-10/h4-6H,3,8H2,1-2H3
InChIKeyFKHODAIYDXUBOE-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylpyrazol-4-amine?
The IUPAC name of 1-butan-2-ylpyrazol-4-amine (CID 43209204) is 1-butan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-butan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-butan-2-ylpyrazol-4-amine is CCC(C)n1cc(N)cn1.
What is the InChIKey of 1-butan-2-ylpyrazol-4-amine?
The InChIKey is FKHODAIYDXUBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-6(2)10-5-7(8)4-9-10/h4-6H,3,8H2,1-2H3.
What are the key properties of 1-butan-2-ylpyrazol-4-amine?
1-butan-2-ylpyrazol-4-amine has a molecular weight of 139.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylpyrazol-4-amine is sourced from PubChem (CID 43209204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).