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

C8H14N4O3S — CID 8822698

IUPACN'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C8H14N4O3S/c1-5-8(6(2)12(4)10-5)16(14,15)11-9-7(3)13/h11H,1-4H3,(H,9,13)
InChIKeyUBJWLUGZVOWIQW-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.63
Rot. Bonds3

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

N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide (PubChem CID 8822698) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
PubChem CID8822698
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC NameN'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C8H14N4O3S/c1-5-8(6(2)12(4)10-5)16(14,15)11-9-7(3)13/h11H,1-4H3,(H,9,13)
InChIKeyUBJWLUGZVOWIQW-UHFFFAOYSA-N
XLogP-0.63
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.63
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)sulfonylacetohydrazide?
The IUPAC name of N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide (CID 8822698) is N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide.
What is the SMILES notation for N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide?
The canonical SMILES for N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide is CC(=O)NNS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide?
The InChIKey is UBJWLUGZVOWIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-5-8(6(2)12(4)10-5)16(14,15)11-9-7(3)13/h11H,1-4H3,(H,9,13).
What are the key properties of N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide?
N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide has a molecular weight of 246.29 g/mol, XLogP of -0.63, 3 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)sulfonylacetohydrazide is sourced from PubChem (CID 8822698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).