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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Related Compounds

1-(4,5-diaminopyrazol-1-yl)hexan-2-ol
CID 58980428
1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol
CID 58980398
1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine
CID 22227389
1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022431
benzene-1,2-diamine;1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid
CID 159346773
1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350810
5-tert-butyl-1-propan-2-ylpyrazol-4-amine
CID 105439735
1-(3-methoxybutyl)pyrazole-4,5-diamine
CID 58913917
1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine
CID 66441034
4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine
CID 160635766
1-(1-cyclopropylethyl)-5-propylpyrazol-4-amine
CID 66441435
1,5-di(propan-2-yl)pyrazol-4-amine
CID 66442434

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).