1-(1-aminobutyl)pyrazole-4,5-diamine

C7H15N5 — CID 69439653

IUPAC1-(1-aminobutyl)pyrazole-4,5-diamine
SMILESCCCC(N)n1ncc(N)c1N
InChIInChI=1S/C7H15N5/c1-2-3-6(9)12-7(10)5(8)4-11-12/h4,6H,2-3,8-10H2,1H3
InChIKeyBRDMCPALUIJOBQ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.30
Rot. Bonds3

About 1-(1-aminobutyl)pyrazole-4,5-diamine

1-(1-aminobutyl)pyrazole-4,5-diamine (PubChem CID 69439653) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(1-aminobutyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-(1-aminobutyl)pyrazole-4,5-diamine
PubChem CID69439653
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name1-(1-aminobutyl)pyrazole-4,5-diamine
SMILESCCCC(N)n1ncc(N)c1N
InChIInChI=1S/C7H15N5/c1-2-3-6(9)12-7(10)5(8)4-11-12/h4,6H,2-3,8-10H2,1H3
InChIKeyBRDMCPALUIJOBQ-UHFFFAOYSA-N
XLogP0.30
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminobutyl)pyrazole-4,5-diamine?
The IUPAC name of 1-(1-aminobutyl)pyrazole-4,5-diamine (CID 69439653) is 1-(1-aminobutyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-(1-aminobutyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-(1-aminobutyl)pyrazole-4,5-diamine is CCCC(N)n1ncc(N)c1N.
What is the InChIKey of 1-(1-aminobutyl)pyrazole-4,5-diamine?
The InChIKey is BRDMCPALUIJOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-2-3-6(9)12-7(10)5(8)4-11-12/h4,6H,2-3,8-10H2,1H3.
What are the key properties of 1-(1-aminobutyl)pyrazole-4,5-diamine?
1-(1-aminobutyl)pyrazole-4,5-diamine has a molecular weight of 169.23 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminobutyl)pyrazole-4,5-diamine is sourced from PubChem (CID 69439653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).