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

C17H13F3N2O2 — CID 21090959

IUPAC4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H13F3N2O2/c1-24-14-8-2-11(3-9-14)15-10-16(17(18,19)20)21-22(15)12-4-6-13(23)7-5-12/h2-10,23H,1H3
InChIKeyQIYRTZDMYPSWLJ-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.27
Rot. Bonds3

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

4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol (PubChem CID 21090959) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
PubChem CID21090959
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H13F3N2O2/c1-24-14-8-2-11(3-9-14)15-10-16(17(18,19)20)21-22(15)12-4-6-13(23)7-5-12/h2-10,23H,1H3
InChIKeyQIYRTZDMYPSWLJ-UHFFFAOYSA-N
XLogP4.27
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioamide
CID 71727532
[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine;hydrochloride
CID 21090957
methanesulfonamide;5-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 142958737
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol
CID 54319002
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-N-methylethanamine;hydrochloride
CID 158524383
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-N-methylacetamide
CID 58806574
5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
CID 57334325
N-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]acetamide
CID 58806583
2-amino-3-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]propanoic acid
CID 58806632
4-[1-[4-[(E)-amino(1-hydroxyethylidene)-λ4-sulfanyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 163477507
2-[4-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091035
N-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 58806843

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol?
The IUPAC name of 4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol (CID 21090959) is 4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol is COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol?
The InChIKey is QIYRTZDMYPSWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-24-14-8-2-11(3-9-14)15-10-16(17(18,19)20)21-22(15)12-4-6-13(23)7-5-12/h2-10,23H,1H3.
What are the key properties of 4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol?
4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol has a molecular weight of 334.30 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 21090959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).