1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide

C10H18N4O3S — CID 2809455

IUPAC1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(C)(=O)=O)nn1C(C)(C)C
InChIInChI=1S/C10H18N4O3S/c1-7-6-8(12-14(7)10(2,3)4)9(15)11-13-18(5,16)17/h6,13H,1-5H3,(H,11,15)
InChIKeyUZVDICONBOTUKM-UHFFFAOYSA-N
MW274.35 g/mol
LogP0.14
Rot. Bonds3

About 1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide

1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide (PubChem CID 2809455) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide
PubChem CID2809455
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(C)(=O)=O)nn1C(C)(C)C
InChIInChI=1S/C10H18N4O3S/c1-7-6-8(12-14(7)10(2,3)4)9(15)11-13-18(5,16)17/h6,13H,1-5H3,(H,11,15)
InChIKeyUZVDICONBOTUKM-UHFFFAOYSA-N
XLogP0.14
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 50.14
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

1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 2743273
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 573245
2-ethyl-N-(3-fluoropropylsulfonyl)-5-methylpyrazole-3-carboxamide
CID 75375999
3-methyl-1-propyl-1H-pyrazole-5-carbohydrazide
CID 16394850
1-(Tert-butyl)-5-methyl-1h-pyrazole-3-carbohydrazide
CID 2735685
1-tert-Butyl-5-methyl-1H-pyrazole-3-carboxylic acid amide
CID 89314187
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxamide
CID 89933411
2-[3-[(cyclohexylsulfonylamino)carbamoyl]-5-methylpyrazol-1-yl]-N-methylacetamide
CID 134581026
2-[5-[(cyclohexylsulfonylamino)carbamoyl]-3-methylpyrazol-1-yl]-N-methylacetamide
CID 134581085
1-ethyl-5-methyl-1H-pyrazole-3-carbohydrazide
CID 26597166
N,1-ditert-butyl-5-methylpyrazole-3-carboxamide
CID 47299648
1-tert-butyl-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-3-carboxamide
CID 47910303

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide?
The IUPAC name of 1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide (CID 2809455) is 1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide?
The canonical SMILES for 1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide is Cc1cc(C(=O)NNS(C)(=O)=O)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide?
The InChIKey is UZVDICONBOTUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-7-6-8(12-14(7)10(2,3)4)9(15)11-13-18(5,16)17/h6,13H,1-5H3,(H,11,15).
What are the key properties of 1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide?
1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide has a molecular weight of 274.35 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide is sourced from PubChem (CID 2809455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).