1-methylpyrazole-4-sulfonohydrazide

C4H8N4O2S — CID 19616386

IUPAC1-methylpyrazole-4-sulfonohydrazide
SMILESCn1cc(S(=O)(=O)NN)cn1
InChIInChI=1S/C4H8N4O2S/c1-8-3-4(2-6-8)11(9,10)7-5/h2-3,7H,5H2,1H3
InChIKeyUUVRPOSGNDBAGM-UHFFFAOYSA-N
MW176.20 g/mol
LogP-1.43
Rot. Bonds2

About 1-methylpyrazole-4-sulfonohydrazide

1-methylpyrazole-4-sulfonohydrazide (PubChem CID 19616386) has the molecular formula C4H8N4O2S and a molecular weight of 176.20 g/mol. Its IUPAC name is 1-methylpyrazole-4-sulfonohydrazide.

Molecular Properties

Compound Name1-methylpyrazole-4-sulfonohydrazide
PubChem CID19616386
Molecular FormulaC4H8N4O2S
Molecular Weight176.20 g/mol
Exact Mass176.04
IUPAC Name1-methylpyrazole-4-sulfonohydrazide
SMILESCn1cc(S(=O)(=O)NN)cn1
InChIInChI=1S/C4H8N4O2S/c1-8-3-4(2-6-8)11(9,10)7-5/h2-3,7H,5H2,1H3
InChIKeyUUVRPOSGNDBAGM-UHFFFAOYSA-N
XLogP-1.43
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-methylpyrazole-4-sulfonohydrazide?
The IUPAC name of 1-methylpyrazole-4-sulfonohydrazide (CID 19616386) is 1-methylpyrazole-4-sulfonohydrazide.
What is the SMILES notation for 1-methylpyrazole-4-sulfonohydrazide?
The canonical SMILES for 1-methylpyrazole-4-sulfonohydrazide is Cn1cc(S(=O)(=O)NN)cn1.
What is the InChIKey of 1-methylpyrazole-4-sulfonohydrazide?
The InChIKey is UUVRPOSGNDBAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2S/c1-8-3-4(2-6-8)11(9,10)7-5/h2-3,7H,5H2,1H3.
What are the key properties of 1-methylpyrazole-4-sulfonohydrazide?
1-methylpyrazole-4-sulfonohydrazide has a molecular weight of 176.20 g/mol, XLogP of -1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazole-4-sulfonohydrazide is sourced from PubChem (CID 19616386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).