1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide

C11H15F3N4O3S — CID 110278326

IUPAC1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C11H15F3N4O3S/c1-22(20,21)18-4-2-3-9(18)10(19)16-8-5-15-17(6-8)7-11(12,13)14/h5-6,9H,2-4,7H2,1H3,(H,16,19)
InChIKeyZGPCVBKGTUKOPL-UHFFFAOYSA-N
MW340.33 g/mol
LogP0.81
Rot. Bonds4

About 1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide

1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide (PubChem CID 110278326) has the molecular formula C11H15F3N4O3S and a molecular weight of 340.33 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
PubChem CID110278326
Molecular FormulaC11H15F3N4O3S
Molecular Weight340.33 g/mol
Exact Mass340.08
IUPAC Name1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C11H15F3N4O3S/c1-22(20,21)18-4-2-3-9(18)10(19)16-8-5-15-17(6-8)7-11(12,13)14/h5-6,9H,2-4,7H2,1H3,(H,16,19)
InChIKeyZGPCVBKGTUKOPL-UHFFFAOYSA-N
XLogP0.81
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 136526513
(3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide
CID 124618201
(2S)-N-(3,5-dimethylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 40853891
(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27444312
N-[4-(diethylamino)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240484
N-[4-(2-hydroxyethyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 61221418
(2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39898332
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
(2R,3S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide
CID 120934160
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 110278355
N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093594
1-methylsulfonyl-N-[3-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 46419731

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide (CID 110278326) is 1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC1C(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is ZGPCVBKGTUKOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3S/c1-22(20,21)18-4-2-3-9(18)10(19)16-8-5-15-17(6-8)7-11(12,13)14/h5-6,9H,2-4,7H2,1H3,(H,16,19).
What are the key properties of 1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110278326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).