(2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone

C15H17F3N2O3 — CID 2213303

IUPAC(2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone
SMILESCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)[C@H](O)c2ccccc2)N1
InChIInChI=1S/C15H17F3N2O3/c1-2-6-11-9-14(23,15(16,17)18)20(19-11)13(22)12(21)10-7-4-3-5-8-10/h3-5,7-9,12,19,21,23H,2,6H2,1H3/t12-,14-/m1/s1
InChIKeyJVIZHJZHJOIHPT-TZMCWYRMSA-N
MW330.31 g/mol
LogP2.00
Rot. Bonds4

About (2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone

(2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone (PubChem CID 2213303) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone
PubChem CID2213303
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name(2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone
SMILESCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)[C@H](O)c2ccccc2)N1
InChIInChI=1S/C15H17F3N2O3/c1-2-6-11-9-14(23,15(16,17)18)20(19-11)13(22)12(21)10-7-4-3-5-8-10/h3-5,7-9,12,19,21,23H,2,6H2,1H3/t12-,14-/m1/s1
InChIKeyJVIZHJZHJOIHPT-TZMCWYRMSA-N
XLogP2.00
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone with MolForge

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Related Compounds

2-[5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-oxo-N-(2-phenylethyl)acetamide
CID 4181848
[(3R)-3-hydroxy-5-(3-methylbutyl)-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2-hydroxyphenyl)methanone
CID 2467314
1-[3-hydroxy-5-methyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone
CID 4742947
(2R)-1-[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-hydroxy-2-phenylethanone
CID 972941
(2S)-2-hydroxy-1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
CID 1093085
1-[(3S)-3-hydroxy-5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-2-yl]-4-phenylbutan-1-one
CID 2291743
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
(2R)-2-hydroxy-1-[(5R)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
CID 7389859
(2R)-2-hydroxy-1-[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
CID 7389861
(2R)-1-[(5R)-3-tert-butyl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-5-hydroxy-4H-pyrazol-1-yl]-2-hydroxy-2-phenylethanone
CID 42561930
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone (CID 2213303) is (2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone is CCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)[C@H](O)c2ccccc2)N1.
What is the InChIKey of (2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone?
The InChIKey is JVIZHJZHJOIHPT-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-2-6-11-9-14(23,15(16,17)18)20(19-11)13(22)12(21)10-7-4-3-5-8-10/h3-5,7-9,12,19,21,23H,2,6H2,1H3/t12-,14-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone?
(2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone has a molecular weight of 330.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[(3R)-3-hydroxy-5-propyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-phenylethanone is sourced from PubChem (CID 2213303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).