N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide

C12H18F3N5O3S — CID 154743577

IUPACN-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide
SMILESCNS(=O)(=O)C1CCN(C(=O)Nc2c(C)c(C(F)(F)F)nn2C)C1
InChIInChI=1S/C12H18F3N5O3S/c1-7-9(12(13,14)15)18-19(3)10(7)17-11(21)20-5-4-8(6-20)24(22,23)16-2/h8,16H,4-6H2,1-3H3,(H,17,21)
InChIKeyFKJGOSGOQXWBSU-UHFFFAOYSA-N
MW369.37 g/mol
LogP0.90
Rot. Bonds3

About N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide

N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide (PubChem CID 154743577) has the molecular formula C12H18F3N5O3S and a molecular weight of 369.37 g/mol. Its IUPAC name is N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide
PubChem CID154743577
Molecular FormulaC12H18F3N5O3S
Molecular Weight369.37 g/mol
Exact Mass369.11
IUPAC NameN-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide
SMILESCNS(=O)(=O)C1CCN(C(=O)Nc2c(C)c(C(F)(F)F)nn2C)C1
InChIInChI=1S/C12H18F3N5O3S/c1-7-9(12(13,14)15)18-19(3)10(7)17-11(21)20-5-4-8(6-20)24(22,23)16-2/h8,16H,4-6H2,1-3H3,(H,17,21)
InChIKeyFKJGOSGOQXWBSU-UHFFFAOYSA-N
XLogP0.90
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylethanesulfonamide
CID 51105083
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide
CID 51105420
(3S)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
CID 99784988
(3R)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
CID 99784989
N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
CID 102561607
1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[(1R,2R)-2-methylsulfonylcyclohexyl]urea
CID 137866844
N-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide
CID 154759631
4-[(1,1-Dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine
CID 62209591
1-(1,1-Dioxothiolan-3-yl)-1-ethyl-3-(4-ethyl-1,3-dimethylpyrazol-5-yl)urea
CID 72928224
N-(1-butan-2-yl-5-methylpyrazol-3-yl)-3-(ethylsulfamoyl)pyrrolidine-1-carboxamide
CID 132376866

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide (CID 154743577) is N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide is CNS(=O)(=O)C1CCN(C(=O)Nc2c(C)c(C(F)(F)F)nn2C)C1.
What is the InChIKey of N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide?
The InChIKey is FKJGOSGOQXWBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O3S/c1-7-9(12(13,14)15)18-19(3)10(7)17-11(21)20-5-4-8(6-20)24(22,23)16-2/h8,16H,4-6H2,1-3H3,(H,17,21).
What are the key properties of N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide?
N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(methylsulfamoyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 154743577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).