methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate

C12H9F3N2O3 — CID 136609734

IUPACmethyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate
SMILESCOC(=O)c1cc(-c2cc(C(F)(F)F)[nH]n2)ccc1O
InChIInChI=1S/C12H9F3N2O3/c1-20-11(19)7-4-6(2-3-9(7)18)8-5-10(17-16-8)12(13,14)15/h2-5,18H,1H3,(H,16,17)
InChIKeyVZGDAHSBTUIAPX-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.59
Rot. Bonds2

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

methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate (PubChem CID 136609734) has the molecular formula C12H9F3N2O3 and a molecular weight of 286.21 g/mol. Its IUPAC name is methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate
PubChem CID136609734
Molecular FormulaC12H9F3N2O3
Molecular Weight286.21 g/mol
Exact Mass286.06
IUPAC Namemethyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate
SMILESCOC(=O)c1cc(-c2cc(C(F)(F)F)[nH]n2)ccc1O
InChIInChI=1S/C12H9F3N2O3/c1-20-11(19)7-4-6(2-3-9(7)18)8-5-10(17-16-8)12(13,14)15/h2-5,18H,1H3,(H,16,17)
InChIKeyVZGDAHSBTUIAPX-UHFFFAOYSA-N
XLogP2.59
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate
CID 169402146
N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane
CID 143534021
methyl 3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 121205112
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol
CID 142636961
2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole
CID 164522408
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
methyl 6-oxo-3-(trifluoromethyl)-1H-pyridazine-5-carboxylate
CID 131255256
3-(4-propoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 142669971
methyl 5-(3-formylphenyl)-2-hydroxybenzoate
CID 5105759
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 45030489

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate?
The IUPAC name of methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate (CID 136609734) is methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate.
What is the SMILES notation for methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate?
The canonical SMILES for methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate is COC(=O)c1cc(-c2cc(C(F)(F)F)[nH]n2)ccc1O.
What is the InChIKey of methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate?
The InChIKey is VZGDAHSBTUIAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3/c1-20-11(19)7-4-6(2-3-9(7)18)8-5-10(17-16-8)12(13,14)15/h2-5,18H,1H3,(H,16,17).
What are the key properties of methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate?
methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate has a molecular weight of 286.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate is sourced from PubChem (CID 136609734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).