5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine

C19H32F3N3O2S — CID 168907225

IUPAC5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine
SMILESCCS(=O)(=O)CC[C@@H]1CCNC1.Cn1nc(C(F)(F)F)cc1C1CCCCC1
InChIInChI=1S/C11H15F3N2.C8H17NO2S/c1-16-9(8-5-3-2-4-6-8)7-10(15-16)11(12,13)14;1-2-12(10,11)6-4-8-3-5-9-7-8/h7-8H,2-6H2,1H3;8-9H,2-7H2,1H3/t;8-/m.0/s1
InChIKeyQKGOXNXMMOITHZ-WDBKTSHHSA-N
MW423.55 g/mol
LogP3.91
Rot. Bonds5

About 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine

5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine (PubChem CID 168907225) has the molecular formula C19H32F3N3O2S and a molecular weight of 423.55 g/mol. Its IUPAC name is 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine.

Molecular Properties

Compound Name5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine
PubChem CID168907225
Molecular FormulaC19H32F3N3O2S
Molecular Weight423.55 g/mol
Exact Mass423.22
IUPAC Name5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine
SMILESCCS(=O)(=O)CC[C@@H]1CCNC1.Cn1nc(C(F)(F)F)cc1C1CCCCC1
InChIInChI=1S/C11H15F3N2.C8H17NO2S/c1-16-9(8-5-3-2-4-6-8)7-10(15-16)11(12,13)14;1-2-12(10,11)6-4-8-3-5-9-7-8/h7-8H,2-6H2,1H3;8-9H,2-7H2,1H3/t;8-/m.0/s1
InChIKeyQKGOXNXMMOITHZ-WDBKTSHHSA-N
XLogP3.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine?
The IUPAC name of 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine (CID 168907225) is 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine.
What is the SMILES notation for 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine?
The canonical SMILES for 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine is CCS(=O)(=O)CC[C@@H]1CCNC1.Cn1nc(C(F)(F)F)cc1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine?
The InChIKey is QKGOXNXMMOITHZ-WDBKTSHHSA-N. The full InChI is InChI=1S/C11H15F3N2.C8H17NO2S/c1-16-9(8-5-3-2-4-6-8)7-10(15-16)11(12,13)14;1-2-12(10,11)6-4-8-3-5-9-7-8/h7-8H,2-6H2,1H3;8-9H,2-7H2,1H3/t;8-/m.0/s1.
What are the key properties of 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine?
5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine has a molecular weight of 423.55 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole;(3S)-3-(2-ethylsulfonylethyl)pyrrolidine is sourced from PubChem (CID 168907225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).