(5S,7R)-2-piperidin-3-yl-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C15H23F3N4 — CID 136858567

IUPAC(5S,7R)-2-piperidin-3-yl-5-propan-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(C3CCCNC3)cc2N1
InChIInChI=1S/C15H23F3N4/c1-9(2)11-6-13(15(16,17)18)22-14(20-11)7-12(21-22)10-4-3-5-19-8-10/h7,9-11,13,19-20H,3-6,8H2,1-2H3/t10?,11-,13+/m0/s1
InChIKeyFNMQOOQXNXYRCZ-QMDRTORHSA-N
MW316.37 g/mol
LogP3.29
Rot. Bonds2

About (5S,7R)-2-piperidin-3-yl-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

(5S,7R)-2-piperidin-3-yl-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136858567) has the molecular formula C15H23F3N4 and a molecular weight of 316.37 g/mol. Its IUPAC name is (5S,7R)-2-piperidin-3-yl-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(5S,7R)-2-piperidin-3-yl-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136858567
Molecular FormulaC15H23F3N4
Molecular Weight316.37 g/mol
Exact Mass316.19
IUPAC Name(5S,7R)-2-piperidin-3-yl-5-propan-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(C3CCCNC3)cc2N1
InChIInChI=1S/C15H23F3N4/c1-9(2)11-6-13(15(16,17)18)22-14(20-11)7-12(21-22)10-4-3-5-19-8-10/h7,9-11,13,19-20H,3-6,8H2,1-2H3/t10?,11-,13+/m0/s1
InChIKeyFNMQOOQXNXYRCZ-QMDRTORHSA-N
XLogP3.29
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-2-piperidin-3-yl-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of (5S,7R)-2-piperidin-3-yl-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136858567) is (5S,7R)-2-piperidin-3-yl-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (5S,7R)-2-piperidin-3-yl-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for (5S,7R)-2-piperidin-3-yl-5-propan-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(C3CCCNC3)cc2N1.
What is the InChIKey of (5S,7R)-2-piperidin-3-yl-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is FNMQOOQXNXYRCZ-QMDRTORHSA-N. The full InChI is InChI=1S/C15H23F3N4/c1-9(2)11-6-13(15(16,17)18)22-14(20-11)7-12(21-22)10-4-3-5-19-8-10/h7,9-11,13,19-20H,3-6,8H2,1-2H3/t10?,11-,13+/m0/s1.
What are the key properties of (5S,7R)-2-piperidin-3-yl-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
(5S,7R)-2-piperidin-3-yl-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 316.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-2-piperidin-3-yl-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136858567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).