1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine

C7H13N5 — CID 21018095

IUPAC1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine
SMILESC=CC(CN)n1ncc(N)c1N
InChIInChI=1S/C7H13N5/c1-2-5(3-8)12-7(10)6(9)4-11-12/h2,4-5H,1,3,8-10H2
InChIKeyYERSNTWEFPREIL-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.27
Rot. Bonds3

About 1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine

1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine (PubChem CID 21018095) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine
PubChem CID21018095
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine
SMILESC=CC(CN)n1ncc(N)c1N
InChIInChI=1S/C7H13N5/c1-2-5(3-8)12-7(10)6(9)4-11-12/h2,4-5H,1,3,8-10H2
InChIKeyYERSNTWEFPREIL-UHFFFAOYSA-N
XLogP-0.27
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine?
The IUPAC name of 1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine (CID 21018095) is 1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine?
The canonical SMILES for 1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine is C=CC(CN)n1ncc(N)c1N.
What is the InChIKey of 1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine?
The InChIKey is YERSNTWEFPREIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-2-5(3-8)12-7(10)6(9)4-11-12/h2,4-5H,1,3,8-10H2.
What are the key properties of 1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine?
1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine has a molecular weight of 167.22 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminobut-3-en-2-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 21018095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).