N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide

C9H16N4O3S — CID 8822942

IUPACN'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide
SMILESCCC(=O)NNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C9H16N4O3S/c1-5-8(14)10-12-17(15,16)9-6(2)11-13(4)7(9)3/h12H,5H2,1-4H3,(H,10,14)
InChIKeyQARPHVCUOCLTOU-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.24
Rot. Bonds4

About N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide

N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide (PubChem CID 8822942) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide.

Molecular Properties

Compound NameN'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide
PubChem CID8822942
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC NameN'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide
SMILESCCC(=O)NNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C9H16N4O3S/c1-5-8(14)10-12-17(15,16)9-6(2)11-13(4)7(9)3/h12H,5H2,1-4H3,(H,10,14)
InChIKeyQARPHVCUOCLTOU-UHFFFAOYSA-N
XLogP-0.24
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide?
The IUPAC name of N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide (CID 8822942) is N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide.
What is the SMILES notation for N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide?
The canonical SMILES for N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide is CCC(=O)NNS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide?
The InChIKey is QARPHVCUOCLTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-5-8(14)10-12-17(15,16)9-6(2)11-13(4)7(9)3/h12H,5H2,1-4H3,(H,10,14).
What are the key properties of N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide?
N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide has a molecular weight of 260.32 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide is sourced from PubChem (CID 8822942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).