(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one

C19H19F6N3O2 — CID 118182697

IUPAC(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one
SMILESC[C@@](O)(C(=O)N1CCC(c2cc(C(F)(F)F)nn2-c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C19H19F6N3O2/c1-17(30,19(23,24)25)16(29)27-9-7-12(8-10-27)14-11-15(18(20,21)22)26-28(14)13-5-3-2-4-6-13/h2-6,11-12,30H,7-10H2,1H3/t17-/m1/s1
InChIKeyKHKYFNZYVHRGNE-QGZVFWFLSA-N
MW435.37 g/mol
LogP3.91
Rot. Bonds3

About (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one (PubChem CID 118182697) has the molecular formula C19H19F6N3O2 and a molecular weight of 435.37 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one
PubChem CID118182697
Molecular FormulaC19H19F6N3O2
Molecular Weight435.37 g/mol
Exact Mass435.14
IUPAC Name(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one
SMILESC[C@@](O)(C(=O)N1CCC(c2cc(C(F)(F)F)nn2-c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C19H19F6N3O2/c1-17(30,19(23,24)25)16(29)27-9-7-12(8-10-27)14-11-15(18(20,21)22)26-28(14)13-5-3-2-4-6-13/h2-6,11-12,30H,7-10H2,1H3/t17-/m1/s1
InChIKeyKHKYFNZYVHRGNE-QGZVFWFLSA-N
XLogP3.91
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-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

Related Compounds

(2R)-1-[2-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 126527123
(2R)-3,3,3-trifluoro-1-[(7R)-1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one
CID 126527124
(2R)-1-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 126527152
(2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one
CID 126527179
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 126527185
(2R)-3,3,3-trifluoro-1-[(7R)-1-(2-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one
CID 126527229
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7R)-7-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 126527244
1-[(7R)-1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one
CID 126527246
(2R)-1-[(7R)-1-(2,4-difluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 126527262
(2R)-3,3,3-trifluoro-1-[1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one
CID 126527471
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(7-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 137379017
(2R)-3,3,3-trifluoro-1-[2-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-2-methyl-propan-1-one
CID 126527120

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one (CID 118182697) is (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one is C[C@@](O)(C(=O)N1CCC(c2cc(C(F)(F)F)nn2-c2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one?
The InChIKey is KHKYFNZYVHRGNE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19F6N3O2/c1-17(30,19(23,24)25)16(29)27-9-7-12(8-10-27)14-11-15(18(20,21)22)26-28(14)13-5-3-2-4-6-13/h2-6,11-12,30H,7-10H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one?
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one has a molecular weight of 435.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 118182697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).