3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole

C24H18F4N2O2 — CID 19587059

IUPAC3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole
SMILESCc1cccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C24H18F4N2O2/c1-15-5-2-8-18(11-15)30-22(17-7-4-10-20(13-17)32-24(27)28)14-21(29-30)16-6-3-9-19(12-16)31-23(25)26/h2-14,23-24H,1H3
InChIKeyGGLOEQIOCDESRI-UHFFFAOYSA-N
MW442.41 g/mol
LogP6.72
Rot. Bonds7

About 3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole

3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole (PubChem CID 19587059) has the molecular formula C24H18F4N2O2 and a molecular weight of 442.41 g/mol. Its IUPAC name is 3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole.

Molecular Properties

Compound Name3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole
PubChem CID19587059
Molecular FormulaC24H18F4N2O2
Molecular Weight442.41 g/mol
Exact Mass442.13
IUPAC Name3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole
SMILESCc1cccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C24H18F4N2O2/c1-15-5-2-8-18(11-15)30-22(17-7-4-10-20(13-17)32-24(27)28)14-21(29-30)16-6-3-9-19(12-16)31-23(25)26/h2-14,23-24H,1H3
InChIKeyGGLOEQIOCDESRI-UHFFFAOYSA-N
XLogP6.72
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.41
LogP ≤ 56.72
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-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole?
The IUPAC name of 3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole (CID 19587059) is 3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole.
What is the SMILES notation for 3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole?
The canonical SMILES for 3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole is Cc1cccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)c1.
What is the InChIKey of 3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole?
The InChIKey is GGLOEQIOCDESRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N2O2/c1-15-5-2-8-18(11-15)30-22(17-7-4-10-20(13-17)32-24(27)28)14-21(29-30)16-6-3-9-19(12-16)31-23(25)26/h2-14,23-24H,1H3.
What are the key properties of 3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole?
3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole has a molecular weight of 442.41 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[3-(difluoromethoxy)phenyl]-1-(3-methylphenyl)pyrazole is sourced from PubChem (CID 19587059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).