1H-pyrazole-4-sulfonohydrazide

C3H6N4O2S — CID 60917034

IUPAC1H-pyrazole-4-sulfonohydrazide
SMILESNNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C3H6N4O2S/c4-7-10(8,9)3-1-5-6-2-3/h1-2,7H,4H2,(H,5,6)
InChIKeyRARHDAYNYYVITG-UHFFFAOYSA-N
MW162.17 g/mol
LogP-1.44
Rot. Bonds2

About 1H-pyrazole-4-sulfonohydrazide

1H-pyrazole-4-sulfonohydrazide (PubChem CID 60917034) has the molecular formula C3H6N4O2S and a molecular weight of 162.17 g/mol. Its IUPAC name is 1H-pyrazole-4-sulfonohydrazide.

Molecular Properties

Compound Name1H-pyrazole-4-sulfonohydrazide
PubChem CID60917034
Molecular FormulaC3H6N4O2S
Molecular Weight162.17 g/mol
Exact Mass162.02
IUPAC Name1H-pyrazole-4-sulfonohydrazide
SMILESNNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C3H6N4O2S/c4-7-10(8,9)3-1-5-6-2-3/h1-2,7H,4H2,(H,5,6)
InChIKeyRARHDAYNYYVITG-UHFFFAOYSA-N
XLogP-1.44
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-4-sulfonohydrazide?
The IUPAC name of 1H-pyrazole-4-sulfonohydrazide (CID 60917034) is 1H-pyrazole-4-sulfonohydrazide.
What is the SMILES notation for 1H-pyrazole-4-sulfonohydrazide?
The canonical SMILES for 1H-pyrazole-4-sulfonohydrazide is NNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole-4-sulfonohydrazide?
The InChIKey is RARHDAYNYYVITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O2S/c4-7-10(8,9)3-1-5-6-2-3/h1-2,7H,4H2,(H,5,6).
What are the key properties of 1H-pyrazole-4-sulfonohydrazide?
1H-pyrazole-4-sulfonohydrazide has a molecular weight of 162.17 g/mol, XLogP of -1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-4-sulfonohydrazide is sourced from PubChem (CID 60917034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).