4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole

C17H13F3N2O2 — CID 3676782

IUPAC4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole
SMILESCOc1ccc(-c2cnn(-c3ccc(OC(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C17H13F3N2O2/c1-23-15-6-2-12(3-7-15)13-10-21-22(11-13)14-4-8-16(9-5-14)24-17(18,19)20/h2-11H,1H3
InChIKeyFOOPFEFHIFQWCG-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.45
Rot. Bonds4

About 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole

4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole (PubChem CID 3676782) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole
PubChem CID3676782
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole
SMILESCOc1ccc(-c2cnn(-c3ccc(OC(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C17H13F3N2O2/c1-23-15-6-2-12(3-7-15)13-10-21-22(11-13)14-4-8-16(9-5-14)24-17(18,19)20/h2-11H,1H3
InChIKeyFOOPFEFHIFQWCG-UHFFFAOYSA-N
XLogP4.45
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole?
The IUPAC name of 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole (CID 3676782) is 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole is COc1ccc(-c2cnn(-c3ccc(OC(F)(F)F)cc3)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole?
The InChIKey is FOOPFEFHIFQWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-23-15-6-2-12(3-7-15)13-10-21-22(11-13)14-4-8-16(9-5-14)24-17(18,19)20/h2-11H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole?
4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole has a molecular weight of 334.30 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 3676782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).