(5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H21F3N4O2 — CID 164638930

IUPAC(5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N(C)[C@H]3CCC[C@@H]3O)c2N1
InChIInChI=1S/C15H21F3N4O2/c1-8-6-12(15(16,17)18)22-13(20-8)9(7-19-22)14(24)21(2)10-4-3-5-11(10)23/h7-8,10-12,20,23H,3-6H2,1-2H3/t8-,10-,11-,12-/m0/s1
InChIKeySZLDYQSDJAVRQD-VGDYDELISA-N
MW346.35 g/mol
LogP2.18
Rot. Bonds2

About (5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164638930) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is (5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID164638930
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name(5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N(C)[C@H]3CCC[C@@H]3O)c2N1
InChIInChI=1S/C15H21F3N4O2/c1-8-6-12(15(16,17)18)22-13(20-8)9(7-19-22)14(24)21(2)10-4-3-5-11(10)23/h7-8,10-12,20,23H,3-6H2,1-2H3/t8-,10-,11-,12-/m0/s1
InChIKeySZLDYQSDJAVRQD-VGDYDELISA-N
XLogP2.18
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164638930) is (5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N(C)[C@H]3CCC[C@@H]3O)c2N1.
What is the InChIKey of (5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SZLDYQSDJAVRQD-VGDYDELISA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-8-6-12(15(16,17)18)22-13(20-8)9(7-19-22)14(24)21(2)10-4-3-5-11(10)23/h7-8,10-12,20,23H,3-6H2,1-2H3/t8-,10-,11-,12-/m0/s1.
What are the key properties of (5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-N-[(1S,2S)-2-hydroxycyclopentyl]-N,5-dimethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164638930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).