5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole

C11H22N4O2S — CID 113258114

IUPAC5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole
SMILESCCN(CC)S(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H22N4O2S/c1-6-15(7-2)18(16,17)14-10-8-9(12-13-10)11(3,4)5/h8H,6-7H2,1-5H3,(H2,12,13,14)
InChIKeyOHQHMKDBHUXWKI-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.71
Rot. Bonds5

About 5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole

5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole (PubChem CID 113258114) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole.

Molecular Properties

Compound Name5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole
PubChem CID113258114
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole
SMILESCCN(CC)S(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H22N4O2S/c1-6-15(7-2)18(16,17)14-10-8-9(12-13-10)11(3,4)5/h8H,6-7H2,1-5H3,(H2,12,13,14)
InChIKeyOHQHMKDBHUXWKI-UHFFFAOYSA-N
XLogP1.71
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785
N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide
CID 3607226
methyl N-[(5-tert-butyl-1H-pyrazol-3-yl)sulfamoyl]carbamate
CID 114464571
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616993
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
CID 104616984
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
CID 112695660
5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 104617001
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 115687613
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 3256250
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 104619460

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole?
The IUPAC name of 5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole (CID 113258114) is 5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole.
What is the SMILES notation for 5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole?
The canonical SMILES for 5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole is CCN(CC)S(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole?
The InChIKey is OHQHMKDBHUXWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-6-15(7-2)18(16,17)14-10-8-9(12-13-10)11(3,4)5/h8H,6-7H2,1-5H3,(H2,12,13,14).
What are the key properties of 5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole?
5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole has a molecular weight of 274.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole is sourced from PubChem (CID 113258114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).