3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole

C12H24N4O2S — CID 131892301

IUPAC3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole
SMILESCc1nn(CCNS(=O)(=O)N(C)C(C)C)c(C)c1C
InChIInChI=1S/C12H24N4O2S/c1-9(2)15(6)19(17,18)13-7-8-16-12(5)10(3)11(4)14-16/h9,13H,7-8H2,1-6H3
InChIKeySKYXRAGQFAQGSJ-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.98
Rot. Bonds6

About 3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole

3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole (PubChem CID 131892301) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole.

Molecular Properties

Compound Name3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole
PubChem CID131892301
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole
SMILESCc1nn(CCNS(=O)(=O)N(C)C(C)C)c(C)c1C
InChIInChI=1S/C12H24N4O2S/c1-9(2)15(6)19(17,18)13-7-8-16-12(5)10(3)11(4)14-16/h9,13H,7-8H2,1-6H3
InChIKeySKYXRAGQFAQGSJ-UHFFFAOYSA-N
XLogP0.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole?
The IUPAC name of 3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole (CID 131892301) is 3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole.
What is the SMILES notation for 3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole?
The canonical SMILES for 3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole is Cc1nn(CCNS(=O)(=O)N(C)C(C)C)c(C)c1C.
What is the InChIKey of 3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole?
The InChIKey is SKYXRAGQFAQGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-9(2)15(6)19(17,18)13-7-8-16-12(5)10(3)11(4)14-16/h9,13H,7-8H2,1-6H3.
What are the key properties of 3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole?
3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole has a molecular weight of 288.42 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-1-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]pyrazole is sourced from PubChem (CID 131892301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).