(5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C15H23F3N4O2S — CID 136761293

IUPAC(5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1
InChIInChI=1S/C15H23F3N4O2S/c1-3-25(23,24)21-6-4-11(5-7-21)12-9-14-19-10(2)8-13(15(16,17)18)22(14)20-12/h9-11,13,19H,3-8H2,1-2H3/t10-,13-/m1/s1
InChIKeyBRKWWHYXZOLBQG-ZWNOBZJWSA-N
MW380.44 g/mol
LogP2.72
Rot. Bonds3

About (5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

(5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136761293) has the molecular formula C15H23F3N4O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is (5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136761293
Molecular FormulaC15H23F3N4O2S
Molecular Weight380.44 g/mol
Exact Mass380.15
IUPAC Name(5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1
InChIInChI=1S/C15H23F3N4O2S/c1-3-25(23,24)21-6-4-11(5-7-21)12-9-14-19-10(2)8-13(15(16,17)18)22(14)20-12/h9-11,13,19H,3-8H2,1-2H3/t10-,13-/m1/s1
InChIKeyBRKWWHYXZOLBQG-ZWNOBZJWSA-N
XLogP2.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine 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 (5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of (5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136761293) is (5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for (5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCS(=O)(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1.
What is the InChIKey of (5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is BRKWWHYXZOLBQG-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H23F3N4O2S/c1-3-25(23,24)21-6-4-11(5-7-21)12-9-14-19-10(2)8-13(15(16,17)18)22(14)20-12/h9-11,13,19H,3-8H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of (5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
(5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 380.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136761293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).