N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide

C15H24F3N5O2S — CID 136761296

IUPACN,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide
SMILESC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(S(=O)(=O)N(C)C)CC3)cc2N1
InChIInChI=1S/C15H24F3N5O2S/c1-10-8-13(15(16,17)18)23-14(19-10)9-12(20-23)11-4-6-22(7-5-11)26(24,25)21(2)3/h9-11,13,19H,4-8H2,1-3H3/t10-,13-/m1/s1
InChIKeyLCAIBLFHIQYNBH-ZWNOBZJWSA-N
MW395.45 g/mol
LogP2.18
Rot. Bonds3

About N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide

N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide (PubChem CID 136761296) has the molecular formula C15H24F3N5O2S and a molecular weight of 395.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide
PubChem CID136761296
Molecular FormulaC15H24F3N5O2S
Molecular Weight395.45 g/mol
Exact Mass395.16
IUPAC NameN,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide
SMILESC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(S(=O)(=O)N(C)C)CC3)cc2N1
InChIInChI=1S/C15H24F3N5O2S/c1-10-8-13(15(16,17)18)23-14(19-10)9-12(20-23)11-4-6-22(7-5-11)26(24,25)21(2)3/h9-11,13,19H,4-8H2,1-3H3/t10-,13-/m1/s1
InChIKeyLCAIBLFHIQYNBH-ZWNOBZJWSA-N
XLogP2.18
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide (CID 136761296) is N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide is C[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(S(=O)(=O)N(C)C)CC3)cc2N1.
What is the InChIKey of N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide?
The InChIKey is LCAIBLFHIQYNBH-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H24F3N5O2S/c1-10-8-13(15(16,17)18)23-14(19-10)9-12(20-23)11-4-6-22(7-5-11)26(24,25)21(2)3/h9-11,13,19H,4-8H2,1-3H3/t10-,13-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide?
N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide has a molecular weight of 395.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 136761296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).