2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one

C13H11F3N2O2 — CID 70930857

IUPAC2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one
SMILESCC(O)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)n[nH]1
InChIInChI=1S/C13H11F3N2O2/c1-7(19)12(20)11-6-10(17-18-11)8-3-2-4-9(5-8)13(14,15)16/h2-7,19H,1H3,(H,17,18)
InChIKeyIOIBRYXFVPALBW-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.66
Rot. Bonds3

About 2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one

2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one (PubChem CID 70930857) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one
PubChem CID70930857
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one
SMILESCC(O)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)n[nH]1
InChIInChI=1S/C13H11F3N2O2/c1-7(19)12(20)11-6-10(17-18-11)8-3-2-4-9(5-8)13(14,15)16/h2-7,19H,1H3,(H,17,18)
InChIKeyIOIBRYXFVPALBW-UHFFFAOYSA-N
XLogP2.66
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 121205112
2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 94301681
3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbaldehyde
CID 62111840
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methanone
CID 46910066
5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 117127130
3-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111313
3-phenyl-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]-1H-pyrazole-5-carbohydrazide
CID 7907311
3-phenyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1H-pyrazole-5-carboxamide
CID 46925799
N-[(2S)-4-phenylbutan-2-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 92772919
3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide
CID 24645614
7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 67154905
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one?
The IUPAC name of 2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one (CID 70930857) is 2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one.
What is the SMILES notation for 2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one?
The canonical SMILES for 2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one is CC(O)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)n[nH]1.
What is the InChIKey of 2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one?
The InChIKey is IOIBRYXFVPALBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-7(19)12(20)11-6-10(17-18-11)8-3-2-4-9(5-8)13(14,15)16/h2-7,19H,1H3,(H,17,18).
What are the key properties of 2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one?
2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one has a molecular weight of 284.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propan-1-one is sourced from PubChem (CID 70930857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).