4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole

C5H8N6O2S — CID 151875563

IUPAC4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole
SMILESCn1ncc(C#N)c1NNS(N)(=O)=O
InChIInChI=1S/C5H8N6O2S/c1-11-5(4(2-6)3-8-11)9-10-14(7,12)13/h3,9-10H,1H3,(H2,7,12,13)
InChIKeySNPIDRIBKHYZAL-UHFFFAOYSA-N
MW216.23 g/mol
LogP-1.59
Rot. Bonds3

About 4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole

4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole (PubChem CID 151875563) has the molecular formula C5H8N6O2S and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole.

Molecular Properties

Compound Name4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole
PubChem CID151875563
Molecular FormulaC5H8N6O2S
Molecular Weight216.23 g/mol
Exact Mass216.04
IUPAC Name4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole
SMILESCn1ncc(C#N)c1NNS(N)(=O)=O
InChIInChI=1S/C5H8N6O2S/c1-11-5(4(2-6)3-8-11)9-10-14(7,12)13/h3,9-10H,1H3,(H2,7,12,13)
InChIKeySNPIDRIBKHYZAL-UHFFFAOYSA-N
XLogP-1.59
TPSA125.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole?
The IUPAC name of 4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole (CID 151875563) is 4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole.
What is the SMILES notation for 4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole?
The canonical SMILES for 4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole is Cn1ncc(C#N)c1NNS(N)(=O)=O.
What is the InChIKey of 4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole?
The InChIKey is SNPIDRIBKHYZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O2S/c1-11-5(4(2-6)3-8-11)9-10-14(7,12)13/h3,9-10H,1H3,(H2,7,12,13).
What are the key properties of 4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole?
4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole has a molecular weight of 216.23 g/mol, XLogP of -1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1-methyl-5-(2-sulfamoylhydrazinyl)pyrazole is sourced from PubChem (CID 151875563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).