(5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C19H30F3N5O2S — CID 136891357

IUPAC(5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3S(=O)(=O)N3CCCC3)cc2N1
InChIInChI=1S/C19H30F3N5O2S/c1-13(2)14-11-17(19(20,21)22)27-18(23-14)12-15(24-27)16-7-3-4-10-26(16)30(28,29)25-8-5-6-9-25/h12-14,16-17,23H,3-11H2,1-2H3/t14-,16-,17+/m0/s1
InChIKeyBTLQPJINHLJHJC-BHYGNILZSA-N
MW449.54 g/mol
LogP3.69
Rot. Bonds4

About (5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

(5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136891357) has the molecular formula C19H30F3N5O2S and a molecular weight of 449.54 g/mol. Its IUPAC name is (5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136891357
Molecular FormulaC19H30F3N5O2S
Molecular Weight449.54 g/mol
Exact Mass449.21
IUPAC Name(5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3S(=O)(=O)N3CCCC3)cc2N1
InChIInChI=1S/C19H30F3N5O2S/c1-13(2)14-11-17(19(20,21)22)27-18(23-14)12-15(24-27)16-7-3-4-10-26(16)30(28,29)25-8-5-6-9-25/h12-14,16-17,23H,3-11H2,1-2H3/t14-,16-,17+/m0/s1
InChIKeyBTLQPJINHLJHJC-BHYGNILZSA-N
XLogP3.69
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

(5S,7R)-5-propan-2-yl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136761142
(5S,7R)-2-(1-methylsulfonylpiperidin-2-yl)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136761140
(5S,7R)-5-propan-2-yl-2-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136891400
5-ethyl-2-(1-ethylsulfonylpyrrolidin-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136907905
[(2S)-oxolan-2-yl]-[(2R)-2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 136891340
(1-methylpyrazol-4-yl)-[(2S)-2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 136891349
(5R,7R)-5-ethyl-2-[(2S)-1-prop-2-enylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136892477
[(2S)-2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 136886452
[(2R)-2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 136886451
2-[5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 136760269
1-[(2S)-2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 136891343
(5R,7S)-5-ethyl-2-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136892144

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of (5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136891357) is (5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for (5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3S(=O)(=O)N3CCCC3)cc2N1.
What is the InChIKey of (5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is BTLQPJINHLJHJC-BHYGNILZSA-N. The full InChI is InChI=1S/C19H30F3N5O2S/c1-13(2)14-11-17(19(20,21)22)27-18(23-14)12-15(24-27)16-7-3-4-10-26(16)30(28,29)25-8-5-6-9-25/h12-14,16-17,23H,3-11H2,1-2H3/t14-,16-,17+/m0/s1.
What are the key properties of (5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
(5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 449.54 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-5-propan-2-yl-2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136891357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).