3-diazopyrazole

C3H2N4 — CID 12739108

IUPAC3-diazopyrazole
SMILES[N-]=[N+]=C1C=CN=N1
InChIInChI=1S/C3H2N4/c4-6-3-1-2-5-7-3/h1-2H
InChIKeyNZNXVABRGBFJED-UHFFFAOYSA-N
MW94.08 g/mol
LogP0.59
Rot. Bonds

About 3-diazopyrazole

3-diazopyrazole (PubChem CID 12739108) has the molecular formula C3H2N4 and a molecular weight of 94.08 g/mol. Its IUPAC name is 3-diazopyrazole.

Molecular Properties

Compound Name3-diazopyrazole
PubChem CID12739108
Molecular FormulaC3H2N4
Molecular Weight94.08 g/mol
Exact Mass94.03
IUPAC Name3-diazopyrazole
SMILES[N-]=[N+]=C1C=CN=N1
InChIInChI=1S/C3H2N4/c4-6-3-1-2-5-7-3/h1-2H
InChIKeyNZNXVABRGBFJED-UHFFFAOYSA-N
XLogP0.59
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.08
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diazopyrazole?
The IUPAC name of 3-diazopyrazole (CID 12739108) is 3-diazopyrazole.
What is the SMILES notation for 3-diazopyrazole?
The canonical SMILES for 3-diazopyrazole is [N-]=[N+]=C1C=CN=N1.
What is the InChIKey of 3-diazopyrazole?
The InChIKey is NZNXVABRGBFJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N4/c4-6-3-1-2-5-7-3/h1-2H.
What are the key properties of 3-diazopyrazole?
3-diazopyrazole has a molecular weight of 94.08 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazopyrazole is sourced from PubChem (CID 12739108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).