3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium

C4H7N4+ — CID 134883395

IUPAC3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium
SMILESCC1NNC=C1[N+]#N
InChIInChI=1S/C4H6N4/c1-3-4(7-5)2-6-8-3/h2-3,5H,1H3/p+1
InChIKeyDIXRTZYOESTUPX-UHFFFAOYSA-O
MW111.13 g/mol
LogP0.18
Rot. Bonds

About 3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium

3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium (PubChem CID 134883395) has the molecular formula C4H7N4+ and a molecular weight of 111.13 g/mol. Its IUPAC name is 3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium.

Molecular Properties

Compound Name3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium
PubChem CID134883395
Molecular FormulaC4H7N4+
Molecular Weight111.13 g/mol
Exact Mass111.07
IUPAC Name3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium
SMILESCC1NNC=C1[N+]#N
InChIInChI=1S/C4H6N4/c1-3-4(7-5)2-6-8-3/h2-3,5H,1H3/p+1
InChIKeyDIXRTZYOESTUPX-UHFFFAOYSA-O
XLogP0.18
TPSA52.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.13
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium?
The IUPAC name of 3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium (CID 134883395) is 3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium.
What is the SMILES notation for 3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium?
The canonical SMILES for 3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium is CC1NNC=C1[N+]#N.
What is the InChIKey of 3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium?
The InChIKey is DIXRTZYOESTUPX-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N4/c1-3-4(7-5)2-6-8-3/h2-3,5H,1H3/p+1.
What are the key properties of 3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium?
3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium has a molecular weight of 111.13 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydro-1H-pyrazole-4-diazonium is sourced from PubChem (CID 134883395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).