N-diazo-1H-pyrazole-4-sulfonamide

C3H3N5O2S — CID 60917164

IUPACN-diazo-1H-pyrazole-4-sulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C3H3N5O2S/c4-7-8-11(9,10)3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKeyCKYAYPALDVWQFD-UHFFFAOYSA-N
MW173.16 g/mol
LogP0.41
Rot. Bonds2

About N-diazo-1H-pyrazole-4-sulfonamide

N-diazo-1H-pyrazole-4-sulfonamide (PubChem CID 60917164) has the molecular formula C3H3N5O2S and a molecular weight of 173.16 g/mol. Its IUPAC name is N-diazo-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-diazo-1H-pyrazole-4-sulfonamide
PubChem CID60917164
Molecular FormulaC3H3N5O2S
Molecular Weight173.16 g/mol
Exact Mass173.00
IUPAC NameN-diazo-1H-pyrazole-4-sulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C3H3N5O2S/c4-7-8-11(9,10)3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKeyCKYAYPALDVWQFD-UHFFFAOYSA-N
XLogP0.41
TPSA111.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-diazo-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-diazo-1H-pyrazole-4-sulfonamide (CID 60917164) is N-diazo-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-diazo-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-diazo-1H-pyrazole-4-sulfonamide is [N-]=[N+]=NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-diazo-1H-pyrazole-4-sulfonamide?
The InChIKey is CKYAYPALDVWQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N5O2S/c4-7-8-11(9,10)3-1-5-6-2-3/h1-2H,(H,5,6).
What are the key properties of N-diazo-1H-pyrazole-4-sulfonamide?
N-diazo-1H-pyrazole-4-sulfonamide has a molecular weight of 173.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60917164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).