5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C20H24F3N5O2 — CID 136760505

IUPAC5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCCN3C(=O)c3ccc(=O)n(C)c3)cc2N1
InChIInChI=1S/C20H24F3N5O2/c1-3-13-9-16(20(21,22)23)28-17(24-13)10-14(25-28)15-5-4-8-27(15)19(30)12-6-7-18(29)26(2)11-12/h6-7,10-11,13,15-16,24H,3-5,8-9H2,1-2H3/t13-,15?,16-/m1/s1
InChIKeyVQDBBVYCQRZOOD-YAELJHOLSA-N
MW423.44 g/mol
LogP3.26
Rot. Bonds3

About 5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 136760505) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID136760505
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCCN3C(=O)c3ccc(=O)n(C)c3)cc2N1
InChIInChI=1S/C20H24F3N5O2/c1-3-13-9-16(20(21,22)23)28-17(24-13)10-14(25-28)15-5-4-8-27(15)19(30)12-6-7-18(29)26(2)11-12/h6-7,10-11,13,15-16,24H,3-5,8-9H2,1-2H3/t13-,15?,16-/m1/s1
InChIKeyVQDBBVYCQRZOOD-YAELJHOLSA-N
XLogP3.26
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 136760505) is 5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCCN3C(=O)c3ccc(=O)n(C)c3)cc2N1.
What is the InChIKey of 5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is VQDBBVYCQRZOOD-YAELJHOLSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-3-13-9-16(20(21,22)23)28-17(24-13)10-14(25-28)15-5-4-8-27(15)19(30)12-6-7-18(29)26(2)11-12/h6-7,10-11,13,15-16,24H,3-5,8-9H2,1-2H3/t13-,15?,16-/m1/s1.
What are the key properties of 5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 423.44 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 136760505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).