2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C13H21F3N4O3S — CID 8933424

IUPAC2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(CC(=O)NCC(F)(F)F)c(C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H21F3N4O3S/c1-8-11(24(22,23)19-12(3,4)5)9(2)20(18-8)6-10(21)17-7-13(14,15)16/h19H,6-7H2,1-5H3,(H,17,21)
InChIKeyHHZCETFQQRELED-UHFFFAOYSA-N
MW370.40 g/mol
LogP1.26
Rot. Bonds5

About 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 8933424) has the molecular formula C13H21F3N4O3S and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID8933424
Molecular FormulaC13H21F3N4O3S
Molecular Weight370.40 g/mol
Exact Mass370.13
IUPAC Name2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(CC(=O)NCC(F)(F)F)c(C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C13H21F3N4O3S/c1-8-11(24(22,23)19-12(3,4)5)9(2)20(18-8)6-10(21)17-7-13(14,15)16/h19H,6-7H2,1-5H3,(H,17,21)
InChIKeyHHZCETFQQRELED-UHFFFAOYSA-N
XLogP1.26
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,2-dimethylbutylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 103460341
2-[3,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43513491
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxy-2-methylpropyl)acetamide
CID 114940285
N-(2-cyclopropylpropan-2-yl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106001169
1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 79015779
2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 82702213
2-[4-(ethoxysulfamoyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 64974053
2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114692532
2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 79089986
2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43513628
2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 32711265
2-[4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 43714267

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 8933424) is 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is Cc1nn(CC(=O)NCC(F)(F)F)c(C)c1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HHZCETFQQRELED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O3S/c1-8-11(24(22,23)19-12(3,4)5)9(2)20(18-8)6-10(21)17-7-13(14,15)16/h19H,6-7H2,1-5H3,(H,17,21).
What are the key properties of 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 370.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 8933424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).