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

C13H22N4O3S — CID 8823100

IUPACN'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C13H22N4O3S/c1-9-12(10(2)17(3)15-9)21(19,20)16-14-13(18)11-7-5-4-6-8-11/h11,16H,4-8H2,1-3H3,(H,14,18)
InChIKeyGBZOCGOLAKZXSN-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.93
Rot. Bonds4

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

N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide (PubChem CID 8823100) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide
PubChem CID8823100
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C13H22N4O3S/c1-9-12(10(2)17(3)15-9)21(19,20)16-14-13(18)11-7-5-4-6-8-11/h11,16H,4-8H2,1-3H3,(H,14,18)
InChIKeyGBZOCGOLAKZXSN-UHFFFAOYSA-N
XLogP0.93
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.93
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)sulfonylcyclohexanecarbohydrazide?
The IUPAC name of N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide (CID 8823100) is N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide.
What is the SMILES notation for N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide?
The canonical SMILES for N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide is Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)C1CCCCC1.
What is the InChIKey of N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide?
The InChIKey is GBZOCGOLAKZXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-9-12(10(2)17(3)15-9)21(19,20)16-14-13(18)11-7-5-4-6-8-11/h11,16H,4-8H2,1-3H3,(H,14,18).
What are the key properties of N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide?
N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide has a molecular weight of 314.41 g/mol, XLogP of 0.93, 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)sulfonylcyclohexanecarbohydrazide is sourced from PubChem (CID 8823100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).