3-diazopyrazole tetrafluoroborate

C3H2BF4N4- — CID 88735714

IUPAC3-diazopyrazole tetrafluoroborate
SMILESF[B-](F)(F)F.[N-]=[N+]=C1C=CN=N1
InChIInChI=1S/C3H2N4.BF4/c4-6-3-1-2-5-7-3;2-1(3,4)5/h1-2H;/q;-1
InChIKeyPEMOWWVVORTRCF-UHFFFAOYSA-N
MW180.88 g/mol
LogP1.89
Rot. Bonds

About 3-diazopyrazole tetrafluoroborate

3-diazopyrazole tetrafluoroborate (PubChem CID 88735714) has the molecular formula C3H2BF4N4- and a molecular weight of 180.88 g/mol. Its IUPAC name is 3-diazopyrazole tetrafluoroborate.

Molecular Properties

Compound Name3-diazopyrazole tetrafluoroborate
PubChem CID88735714
Molecular FormulaC3H2BF4N4-
Molecular Weight180.88 g/mol
Exact Mass181.03
IUPAC Name3-diazopyrazole tetrafluoroborate
SMILESF[B-](F)(F)F.[N-]=[N+]=C1C=CN=N1
InChIInChI=1S/C3H2N4.BF4/c4-6-3-1-2-5-7-3;2-1(3,4)5/h1-2H;/q;-1
InChIKeyPEMOWWVVORTRCF-UHFFFAOYSA-N
XLogP1.89
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.88
LogP ≤ 51.89
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': 'heavy_metal', '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 tetrafluoroborate?
The IUPAC name of 3-diazopyrazole tetrafluoroborate (CID 88735714) is 3-diazopyrazole tetrafluoroborate.
What is the SMILES notation for 3-diazopyrazole tetrafluoroborate?
The canonical SMILES for 3-diazopyrazole tetrafluoroborate is F[B-](F)(F)F.[N-]=[N+]=C1C=CN=N1.
What is the InChIKey of 3-diazopyrazole tetrafluoroborate?
The InChIKey is PEMOWWVVORTRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N4.BF4/c4-6-3-1-2-5-7-3;2-1(3,4)5/h1-2H;/q;-1.
What are the key properties of 3-diazopyrazole tetrafluoroborate?
3-diazopyrazole tetrafluoroborate has a molecular weight of 180.88 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazopyrazole tetrafluoroborate is sourced from PubChem (CID 88735714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).