(4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one

C18H15F3N2O2 — CID 7056156

IUPAC(4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
SMILESCc1ccc([C@H](O)[C@@H]2C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O2/c1-11-7-9-12(10-8-11)15(24)14-16(18(19,20)21)22-23(17(14)25)13-5-3-2-4-6-13/h2-10,14-15,24H,1H3/t14-,15-/m0/s1
InChIKeyRDCGHYZSIUDZHI-GJZGRUSLSA-N
MW348.32 g/mol
LogP3.61
Rot. Bonds3

About (4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one

(4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one (PubChem CID 7056156) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is (4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name(4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
PubChem CID7056156
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name(4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
SMILESCc1ccc([C@H](O)[C@@H]2C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O2/c1-11-7-9-12(10-8-11)15(24)14-16(18(19,20)21)22-23(17(14)25)13-5-3-2-4-6-13/h2-10,14-15,24H,1H3/t14-,15-/m0/s1
InChIKeyRDCGHYZSIUDZHI-GJZGRUSLSA-N
XLogP3.61
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[(R)-[4-(dimethylamino)phenyl]-hydroxymethyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 7056168
4-[hydroxy-(4-methoxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 4646886
4-[[5-oxo-1-phenyl-3-(trifluoromethyl)-4H-pyrazol-4-yl]-phenylmethyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 174965586
(4S)-4-[(R)-(2,4-dichlorophenyl)-hydroxymethyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 7056172
(4R)-5-methyl-4-[[(4R)-3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]-phenylmethyl]-2-(4-methylphenyl)-4H-pyrazol-3-one
CID 98152479
(4R)-4-[bis[4-(dimethylamino)phenyl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 51563584
(4S)-4-[(2-hydroxyphenyl)-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124807573
2-(2-chlorophenyl)-5-methyl-4-propan-2-yl-4H-pyrazol-3-one;2-(2-chlorophenyl)-4-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 160575452
(4S)-4-[(S)-(N-hydroxyanilino)-phenylmethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 6558171
(4S)-4-[(3-hydroxyphenyl)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 1131385
N-[(1R)-2,2,2-trichloro-1-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]ethyl]acetamide
CID 98158170
5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(4-ethylphenyl)methyl]-2-phenyl-4H-pyrazol-3-one
CID 139839339

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one?
The IUPAC name of (4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one (CID 7056156) is (4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one.
What is the SMILES notation for (4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one?
The canonical SMILES for (4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one is Cc1ccc([C@H](O)[C@@H]2C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1.
What is the InChIKey of (4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one?
The InChIKey is RDCGHYZSIUDZHI-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-11-7-9-12(10-8-11)15(24)14-16(18(19,20)21)22-23(17(14)25)13-5-3-2-4-6-13/h2-10,14-15,24H,1H3/t14-,15-/m0/s1.
What are the key properties of (4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one?
(4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one has a molecular weight of 348.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(R)-hydroxy-(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one is sourced from PubChem (CID 7056156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).