3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole

C25H21F3N2O2 — CID 19586548

IUPAC3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESCOc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3cccc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C25H21F3N2O2/c1-31-21-10-4-7-18(13-21)23-15-24(19-8-5-11-22(14-19)32-2)30(29-23)16-17-6-3-9-20(12-17)25(26,27)28/h3-15H,16H2,1-2H3
InChIKeyAKAXVWZIKXIRMC-UHFFFAOYSA-N
MW438.45 g/mol
LogP6.30
Rot. Bonds6

About 3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole

3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole (PubChem CID 19586548) has the molecular formula C25H21F3N2O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is 3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
PubChem CID19586548
Molecular FormulaC25H21F3N2O2
Molecular Weight438.45 g/mol
Exact Mass438.16
IUPAC Name3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESCOc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3cccc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C25H21F3N2O2/c1-31-21-10-4-7-18(13-21)23-15-24(19-8-5-11-22(14-19)32-2)30(29-23)16-17-6-3-9-20(12-17)25(26,27)28/h3-15H,16H2,1-2H3
InChIKeyAKAXVWZIKXIRMC-UHFFFAOYSA-N
XLogP6.30
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The IUPAC name of 3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole (CID 19586548) is 3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole is COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3cccc(C(F)(F)F)c3)n2)c1.
What is the InChIKey of 3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The InChIKey is AKAXVWZIKXIRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O2/c1-31-21-10-4-7-18(13-21)23-15-24(19-8-5-11-22(14-19)32-2)30(29-23)16-17-6-3-9-20(12-17)25(26,27)28/h3-15H,16H2,1-2H3.
What are the key properties of 3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole has a molecular weight of 438.45 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 19586548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).