4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol

C17H13F3N2O — CID 136595785

IUPAC4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol
SMILESCc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H13F3N2O/c1-11-2-6-13(7-3-11)22-15(10-16(21-22)17(18,19)20)12-4-8-14(23)9-5-12/h2-10,23H,1H3
InChIKeyJCUREPBUDQOACY-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.57
Rot. Bonds2

About 4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol

4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol (PubChem CID 136595785) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol
PubChem CID136595785
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol
SMILESCc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H13F3N2O/c1-11-2-6-13(7-3-11)22-15(10-16(21-22)17(18,19)20)12-4-8-14(23)9-5-12/h2-10,23H,1H3
InChIKeyJCUREPBUDQOACY-UHFFFAOYSA-N
XLogP4.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Propyl pyrazole triol
CID 5040063
2-(3,5-Dimethyl-1-phenylpyrazol-4-yl)phenol
CID 832558
1,5-Bis(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 10569712
4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
CID 135546507
4-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzenol
CID 1478286
5-(4-Methoxyphenyl)-1,3-diphenyl-1H-pyrazole
CID 14532339
4-[(5S)-1-(4-fluorophenyl)spiro[4H-indazole-5,6'-cyclohexene]-1'-yl]phenol
CID 155548288
4-[5-(4-Methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzonitrile
CID 21090956
Phenol, 4,4',4''-(4-ethyl-1H-pyrazole-1,3,5-triyl)tris-
CID 135484591
[2,3,5,6-Tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol
CID 2274914
4-Methyl-6-(2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
CID 353508
2-[1-Methyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol
CID 972477

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The IUPAC name of 4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol (CID 136595785) is 4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The canonical SMILES for 4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol is Cc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The InChIKey is JCUREPBUDQOACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-11-2-6-13(7-3-11)22-15(10-16(21-22)17(18,19)20)12-4-8-14(23)9-5-12/h2-10,23H,1H3.
What are the key properties of 4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol?
4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol has a molecular weight of 318.30 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 136595785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).