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

C16H24F3N5O — CID 136761322

IUPAC2-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(CC(N)=O)C3)cc2N1
InChIInChI=1S/C16H24F3N5O/c1-9(2)11-5-13(16(17,18)19)24-15(21-11)6-12(22-24)10-3-4-23(7-10)8-14(20)25/h6,9-11,13,21H,3-5,7-8H2,1-2H3,(H2,20,25)/t10?,11-,13+/m0/s1
InChIKeyYLUNUKSSNLUXBH-QMDRTORHSA-N
MW359.40 g/mol
LogP2.10
Rot. Bonds4

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

2-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide (PubChem CID 136761322) has the molecular formula C16H24F3N5O and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
PubChem CID136761322
Molecular FormulaC16H24F3N5O
Molecular Weight359.40 g/mol
Exact Mass359.19
IUPAC Name2-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(CC(N)=O)C3)cc2N1
InChIInChI=1S/C16H24F3N5O/c1-9(2)11-5-13(16(17,18)19)24-15(21-11)6-12(22-24)10-3-4-23(7-10)8-14(20)25/h6,9-11,13,21H,3-5,7-8H2,1-2H3,(H2,20,25)/t10?,11-,13+/m0/s1
InChIKeyYLUNUKSSNLUXBH-QMDRTORHSA-N
XLogP2.10
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide (CID 136761322) is 2-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide is CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(CC(N)=O)C3)cc2N1.
What is the InChIKey of 2-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is YLUNUKSSNLUXBH-QMDRTORHSA-N. The full InChI is InChI=1S/C16H24F3N5O/c1-9(2)11-5-13(16(17,18)19)24-15(21-11)6-12(22-24)10-3-4-23(7-10)8-14(20)25/h6,9-11,13,21H,3-5,7-8H2,1-2H3,(H2,20,25)/t10?,11-,13+/m0/s1.
What are the key properties of 2-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
2-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 359.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 136761322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).