5-carbamoyl-1H-pyrazole-4-diazonium

C4H4N5O+ — CID 12707464

IUPAC5-carbamoyl-1H-pyrazole-4-diazonium
SMILESN#[N+]c1cn[nH]c1C(N)=O
InChIInChI=1S/C4H3N5O/c5-4(10)3-2(8-6)1-7-9-3/h1H,(H2-,5,7,9,10)/p+1
InChIKeyFRLUVSOTNMOQHT-UHFFFAOYSA-O
MW138.11 g/mol
LogP-0.01
Rot. Bonds1

About 5-carbamoyl-1H-pyrazole-4-diazonium

5-carbamoyl-1H-pyrazole-4-diazonium (PubChem CID 12707464) has the molecular formula C4H4N5O+ and a molecular weight of 138.11 g/mol. Its IUPAC name is 5-carbamoyl-1H-pyrazole-4-diazonium.

Molecular Properties

Compound Name5-carbamoyl-1H-pyrazole-4-diazonium
PubChem CID12707464
Molecular FormulaC4H4N5O+
Molecular Weight138.11 g/mol
Exact Mass138.04
IUPAC Name5-carbamoyl-1H-pyrazole-4-diazonium
SMILESN#[N+]c1cn[nH]c1C(N)=O
InChIInChI=1S/C4H3N5O/c5-4(10)3-2(8-6)1-7-9-3/h1H,(H2-,5,7,9,10)/p+1
InChIKeyFRLUVSOTNMOQHT-UHFFFAOYSA-O
XLogP-0.01
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 5-0.01
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 5-carbamoyl-1H-pyrazole-4-diazonium?
The IUPAC name of 5-carbamoyl-1H-pyrazole-4-diazonium (CID 12707464) is 5-carbamoyl-1H-pyrazole-4-diazonium.
What is the SMILES notation for 5-carbamoyl-1H-pyrazole-4-diazonium?
The canonical SMILES for 5-carbamoyl-1H-pyrazole-4-diazonium is N#[N+]c1cn[nH]c1C(N)=O.
What is the InChIKey of 5-carbamoyl-1H-pyrazole-4-diazonium?
The InChIKey is FRLUVSOTNMOQHT-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H3N5O/c5-4(10)3-2(8-6)1-7-9-3/h1H,(H2-,5,7,9,10)/p+1.
What are the key properties of 5-carbamoyl-1H-pyrazole-4-diazonium?
5-carbamoyl-1H-pyrazole-4-diazonium has a molecular weight of 138.11 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-1H-pyrazole-4-diazonium is sourced from PubChem (CID 12707464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).