2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one

C18H27F3N4O — CID 136761302

IUPAC2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
SMILESC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)C(C)(C)C)CC3)cc2N1
InChIInChI=1S/C18H27F3N4O/c1-11-9-14(18(19,20)21)25-15(22-11)10-13(23-25)12-5-7-24(8-6-12)16(26)17(2,3)4/h10-12,14,22H,5-9H2,1-4H3/t11-,14-/m1/s1
InChIKeyOELQRJDSOJWCFI-BXUZGUMPSA-N
MW372.44 g/mol
LogP3.94
Rot. Bonds1

About 2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 136761302) has the molecular formula C18H27F3N4O and a molecular weight of 372.44 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID136761302
Molecular FormulaC18H27F3N4O
Molecular Weight372.44 g/mol
Exact Mass372.21
IUPAC Name2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
SMILESC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)C(C)(C)C)CC3)cc2N1
InChIInChI=1S/C18H27F3N4O/c1-11-9-14(18(19,20)21)25-15(22-11)10-13(23-25)12-5-7-24(8-6-12)16(26)17(2,3)4/h10-12,14,22H,5-9H2,1-4H3/t11-,14-/m1/s1
InChIKeyOELQRJDSOJWCFI-BXUZGUMPSA-N
XLogP3.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one (CID 136761302) is 2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one is C[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)C(C)(C)C)CC3)cc2N1.
What is the InChIKey of 2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is OELQRJDSOJWCFI-BXUZGUMPSA-N. The full InChI is InChI=1S/C18H27F3N4O/c1-11-9-14(18(19,20)21)25-15(22-11)10-13(23-25)12-5-7-24(8-6-12)16(26)17(2,3)4/h10-12,14,22H,5-9H2,1-4H3/t11-,14-/m1/s1.
What are the key properties of 2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 372.44 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 136761302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).