[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone

C13H13F3N2O2 — CID 56689831

IUPAC[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone
SMILESCC1=NN(C(=O)c2ccccc2C)C(O)(C(F)(F)F)C1
InChIInChI=1S/C13H13F3N2O2/c1-8-5-3-4-6-10(8)11(19)18-12(20,13(14,15)16)7-9(2)17-18/h3-6,20H,7H2,1-2H3
InChIKeyDRBWAYMSHGRACH-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.47
Rot. Bonds1

About [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone

[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone (PubChem CID 56689831) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone
PubChem CID56689831
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone
SMILESCC1=NN(C(=O)c2ccccc2C)C(O)(C(F)(F)F)C1
InChIInChI=1S/C13H13F3N2O2/c1-8-5-3-4-6-10(8)11(19)18-12(20,13(14,15)16)7-9(2)17-18/h3-6,20H,7H2,1-2H3
InChIKeyDRBWAYMSHGRACH-UHFFFAOYSA-N
XLogP2.47
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone (CID 56689831) is [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone is CC1=NN(C(=O)c2ccccc2C)C(O)(C(F)(F)F)C1.
What is the InChIKey of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone?
The InChIKey is DRBWAYMSHGRACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-8-5-3-4-6-10(8)11(19)18-12(20,13(14,15)16)7-9(2)17-18/h3-6,20H,7H2,1-2H3.
What are the key properties of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone?
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone has a molecular weight of 286.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 56689831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).