N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide

C14H17F3N4O3S — CID 154847412

IUPACN-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide
SMILESO=C(c1cc(C(F)(F)F)nn1C1CC1)N1CC(S(=O)(=O)NC2CC2)C1
InChIInChI=1S/C14H17F3N4O3S/c15-14(16,17)12-5-11(21(18-12)9-3-4-9)13(22)20-6-10(7-20)25(23,24)19-8-1-2-8/h5,8-10,19H,1-4,6-7H2
InChIKeyZBKJTVSBIZOCQV-UHFFFAOYSA-N
MW378.38 g/mol
LogP1.14
Rot. Bonds5

About N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide

N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide (PubChem CID 154847412) has the molecular formula C14H17F3N4O3S and a molecular weight of 378.38 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide
PubChem CID154847412
Molecular FormulaC14H17F3N4O3S
Molecular Weight378.38 g/mol
Exact Mass378.10
IUPAC NameN-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide
SMILESO=C(c1cc(C(F)(F)F)nn1C1CC1)N1CC(S(=O)(=O)NC2CC2)C1
InChIInChI=1S/C14H17F3N4O3S/c15-14(16,17)12-5-11(21(18-12)9-3-4-9)13(22)20-6-10(7-20)25(23,24)19-8-1-2-8/h5,8-10,19H,1-4,6-7H2
InChIKeyZBKJTVSBIZOCQV-UHFFFAOYSA-N
XLogP1.14
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide
CID 154847395
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-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione
CID 154847356
(3R)-N-cyclopentyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348547
3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid
CID 154848071
N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 39891621
1-cyclopropyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 154847399
N-cyclopentyl-1-[4-(difluoromethyl)benzoyl]azetidine-3-sulfonamide
CID 136522204
N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 171813383

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide?
The IUPAC name of N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide (CID 154847412) is N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide is O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CC(S(=O)(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide?
The InChIKey is ZBKJTVSBIZOCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O3S/c15-14(16,17)12-5-11(21(18-12)9-3-4-9)13(22)20-6-10(7-20)25(23,24)19-8-1-2-8/h5,8-10,19H,1-4,6-7H2.
What are the key properties of N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide?
N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide has a molecular weight of 378.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide is sourced from PubChem (CID 154847412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).