5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide

C5H9ClN4O2S — CID 2777158

IUPAC5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NN
InChIInChI=1S/C5H9ClN4O2S/c1-3-4(13(11,12)9-7)5(6)10(2)8-3/h9H,7H2,1-2H3
InChIKeyBYXRCFNHMPQUNZ-UHFFFAOYSA-N
MW224.67 g/mol
LogP-0.47
Rot. Bonds2

About 5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide

5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide (PubChem CID 2777158) has the molecular formula C5H9ClN4O2S and a molecular weight of 224.67 g/mol. Its IUPAC name is 5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide.

Molecular Properties

Compound Name5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide
PubChem CID2777158
Molecular FormulaC5H9ClN4O2S
Molecular Weight224.67 g/mol
Exact Mass224.01
IUPAC Name5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NN
InChIInChI=1S/C5H9ClN4O2S/c1-3-4(13(11,12)9-7)5(6)10(2)8-3/h9H,7H2,1-2H3
InChIKeyBYXRCFNHMPQUNZ-UHFFFAOYSA-N
XLogP-0.47
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 5-0.47
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 5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide?
The IUPAC name of 5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide (CID 2777158) is 5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide.
What is the SMILES notation for 5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide?
The canonical SMILES for 5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide is Cc1nn(C)c(Cl)c1S(=O)(=O)NN.
What is the InChIKey of 5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide?
The InChIKey is BYXRCFNHMPQUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN4O2S/c1-3-4(13(11,12)9-7)5(6)10(2)8-3/h9H,7H2,1-2H3.
What are the key properties of 5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide?
5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide has a molecular weight of 224.67 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethylpyrazole-4-sulfonohydrazide is sourced from PubChem (CID 2777158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).