N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide

C12H15F3N4O3S — CID 154847395

IUPACN-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1
InChIInChI=1S/C12H15F3N4O3S/c1-23(21,22)17-7-5-18(6-7)11(20)9-4-10(12(13,14)15)16-19(9)8-2-3-8/h4,7-8,17H,2-3,5-6H2,1H3
InChIKeyFFUBPRZMESIITF-UHFFFAOYSA-N
MW352.34 g/mol
LogP0.61
Rot. Bonds4

About N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide

N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide (PubChem CID 154847395) has the molecular formula C12H15F3N4O3S and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide
PubChem CID154847395
Molecular FormulaC12H15F3N4O3S
Molecular Weight352.34 g/mol
Exact Mass352.08
IUPAC NameN-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1
InChIInChI=1S/C12H15F3N4O3S/c1-23(21,22)17-7-5-18(6-7)11(20)9-4-10(12(13,14)15)16-19(9)8-2-3-8/h4,7-8,17H,2-3,5-6H2,1H3
InChIKeyFFUBPRZMESIITF-UHFFFAOYSA-N
XLogP0.61
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide
CID 154847412
1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid
CID 154848078
[(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 154847298
11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione
CID 167768682
3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid
CID 154848071
3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione
CID 154847356
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 39891621
N-[1-(1-cyclohexyl-5-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 127752315
1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 154847399
N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474
N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 171813383
1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155959489

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide (CID 154847395) is N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1.
What is the InChIKey of N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide?
The InChIKey is FFUBPRZMESIITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O3S/c1-23(21,22)17-7-5-18(6-7)11(20)9-4-10(12(13,14)15)16-19(9)8-2-3-8/h4,7-8,17H,2-3,5-6H2,1H3.
What are the key properties of N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide?
N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide has a molecular weight of 352.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide is sourced from PubChem (CID 154847395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).