[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone

C18H15F3N2O3 — CID 6615423

IUPAC[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
SMILESCOc1cccc(C2=NN(C(=O)c3ccccc3)C(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C18H15F3N2O3/c1-26-14-9-5-8-13(10-14)15-11-17(25,18(19,20)21)23(22-15)16(24)12-6-3-2-4-7-12/h2-10,25H,11H2,1H3
InChIKeyZTXONOJXMVSSIS-UHFFFAOYSA-N
MW364.32 g/mol
LogP3.20
Rot. Bonds3

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

[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone (PubChem CID 6615423) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
PubChem CID6615423
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
SMILESCOc1cccc(C2=NN(C(=O)c3ccccc3)C(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C18H15F3N2O3/c1-26-14-9-5-8-13(10-14)15-11-17(25,18(19,20)21)23(22-15)16(24)12-6-3-2-4-7-12/h2-10,25H,11H2,1H3
InChIKeyZTXONOJXMVSSIS-UHFFFAOYSA-N
XLogP3.20
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-hydroxy-5-(2-hydroxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 2857746
[3-(2-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2953068
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone
CID 3146993
[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-methoxyphenyl)methanone
CID 2857944
N-benzoyl-5-(-3'-methoxy phenyl)-3-phenylpyrazoline (2f)
CID 84973182
[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone
CID 3147069
(2-Hydroxy-phenyl)-(5-hydroxy-3-phenyl-5-trifluoromethyl-4,5-dihydro-pyrazol-1-y
CID 3147071
[5-Hydroxy-3-(3-methoxy-phenyl)-5-trifluoromethyl-4,5-dihydro-pyrazol-1-yl]-(4-m
CID 3878967
(4E)-2-(2-hydroxybenzoyl)-4-[(4-methoxyphenyl)methylene]-5-methyl-pyrazol-3-one
CID 5351408
(4Z)-2-(2-hydroxybenzoyl)-4-[(4-methoxyphenyl)methylidene]-5-methylpyrazol-3-one
CID 5896625
3-(3-Methoxyphenyl)-1-(thiophene-2-carbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL
CID 6484429
4-[(3-methoxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937730

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
The IUPAC name of [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone (CID 6615423) is [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone is COc1cccc(C2=NN(C(=O)c3ccccc3)C(O)(C(F)(F)F)C2)c1.
What is the InChIKey of [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
The InChIKey is ZTXONOJXMVSSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-26-14-9-5-8-13(10-14)15-11-17(25,18(19,20)21)23(22-15)16(24)12-6-3-2-4-7-12/h2-10,25H,11H2,1H3.
What are the key properties of [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone?
[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone has a molecular weight of 364.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 6615423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).