1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone

C19H17F3N2O3 — CID 3147073

IUPAC1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2N=C(c3ccccc3)CC2(O)C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3/c1-27-15-9-7-13(8-10-15)11-17(25)24-18(26,19(20,21)22)12-16(23-24)14-5-3-2-4-6-14/h2-10,26H,11-12H2,1H3
InChIKeyLVBXTMKYBMEOJK-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.13
Rot. Bonds4

About 1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone

1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 3147073) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID3147073
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2N=C(c3ccccc3)CC2(O)C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3/c1-27-15-9-7-13(8-10-15)11-17(25)24-18(26,19(20,21)22)12-16(23-24)14-5-3-2-4-6-14/h2-10,26H,11-12H2,1H3
InChIKeyLVBXTMKYBMEOJK-UHFFFAOYSA-N
XLogP3.13
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 4594276
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone
CID 3146993
2-(3,4-dimethoxyphenyl)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
CID 3716780
2-(4-ethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 4167592
6-[4-(3-Piperidin-1-ylpropoxy)phenyl]-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one
CID 57395870
6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one
CID 57399327
2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 3136707
[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-methoxyphenyl)methanone
CID 2857944
[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone
CID 3147069
ethyl 5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
CID 3152309
1-[2-(4-methoxybenzyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3270170
[5-Hydroxy-3-(3-methoxy-phenyl)-5-trifluoromethyl-4,5-dihydro-pyrazol-1-yl]-(4-m
CID 3878967

Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone (CID 3147073) is 1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2N=C(c3ccccc3)CC2(O)C(F)(F)F)cc1.
What is the InChIKey of 1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is LVBXTMKYBMEOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-27-15-9-7-13(8-10-15)11-17(25)24-18(26,19(20,21)22)12-16(23-24)14-5-3-2-4-6-14/h2-10,26H,11-12H2,1H3.
What are the key properties of 1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 378.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 3147073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).