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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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetamide
CID 53612162
2-Cyclohexyl-1-{3,5-dimethyl-4-[(4-methylpiperidin-1-YL)sulfonyl]-1H-pyrazol-1-YL}ethan-1-one
CID 18565358
N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
CID 8822698
N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclopropanecarbohydrazide
CID 8822921
N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide
CID 8822942
2-(1-adamantyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
CID 8823080
cyclohexyl(3,5-dimethyl-4-(piperidin-1-ylsulfonyl)-1H-pyrazol-1-yl)methanone
CID 16801480
cyclohexyl(3,5-dimethyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrazol-1-yl)methanone
CID 16896654
cyclohexyl(3,5-dimethyl-4-((4-methylpiperidin-1-yl)sulfonyl)-1H-pyrazol-1-yl)methanone
CID 16896655
1-(cyclohexanecarbonyl)-N,N-diethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16896656
1-[4-(Azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-YL]-2-cyclohexylethan-1-one
CID 18565355
1-(cyclohexylacetyl)-3,5-dimethyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrazole
CID 18565356

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).