5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol

C17H13F3N2O2 — CID 135425181

IUPAC5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol
SMILESCOc1ccc(-c2ccnn2-c2cccc(C(F)(F)F)c2)c(O)c1
InChIInChI=1S/C17H13F3N2O2/c1-24-13-5-6-14(16(23)10-13)15-7-8-21-22(15)12-4-2-3-11(9-12)17(18,19)20/h2-10,23H,1H3
InChIKeyMOLBSWATFMOMIT-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.27
Rot. Bonds3

About 5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol

5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol (PubChem CID 135425181) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol
PubChem CID135425181
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol
SMILESCOc1ccc(-c2ccnn2-c2cccc(C(F)(F)F)c2)c(O)c1
InChIInChI=1S/C17H13F3N2O2/c1-24-13-5-6-14(16(23)10-13)15-7-8-21-22(15)12-4-2-3-11(9-12)17(18,19)20/h2-10,23H,1H3
InChIKeyMOLBSWATFMOMIT-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

5-methoxy-2-[2-(3-methoxyphenyl)pyrazol-3-yl]phenol
CID 135520262
5-[2-(4-methoxyphenyl)pyrazol-3-yl]-3,6-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 90197492
3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 16751865
6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 162587560
5-(3-methoxyphenyl)-1-phenylpyrazole
CID 44632701
2-(2-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 172907025
4-(4-methoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561144
2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 146557266
5-bromo-1-(3-methoxyphenyl)pyrazole
CID 112693887
2-(3-methoxyphenyl)pyrazole-3-carbonitrile
CID 105452002
3-[2-(3-methylphenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 66710696
4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 117232945

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol?
The IUPAC name of 5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol (CID 135425181) is 5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol?
The canonical SMILES for 5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol is COc1ccc(-c2ccnn2-c2cccc(C(F)(F)F)c2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol?
The InChIKey is MOLBSWATFMOMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-24-13-5-6-14(16(23)10-13)15-7-8-21-22(15)12-4-2-3-11(9-12)17(18,19)20/h2-10,23H,1H3.
What are the key properties of 5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol?
5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-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 5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol is sourced from PubChem (CID 135425181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).