3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole

C25H20F4N2O3 — CID 19586923

IUPAC3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2nc(-c3ccc(OC(F)F)cc3)cc2-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C25H20F4N2O3/c1-32-19-8-2-16(3-9-19)15-31-23(18-6-12-21(13-7-18)34-25(28)29)14-22(30-31)17-4-10-20(11-5-17)33-24(26)27/h2-14,24-25H,15H2,1H3
InChIKeyGMQAMEPVRUZDJP-UHFFFAOYSA-N
MW472.44 g/mol
LogP6.48
Rot. Bonds9

About 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole

3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole (PubChem CID 19586923) has the molecular formula C25H20F4N2O3 and a molecular weight of 472.44 g/mol. Its IUPAC name is 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole
PubChem CID19586923
Molecular FormulaC25H20F4N2O3
Molecular Weight472.44 g/mol
Exact Mass472.14
IUPAC Name3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2nc(-c3ccc(OC(F)F)cc3)cc2-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C25H20F4N2O3/c1-32-19-8-2-16(3-9-19)15-31-23(18-6-12-21(13-7-18)34-25(28)29)14-22(30-31)17-4-10-20(11-5-17)33-24(26)27/h2-14,24-25H,15H2,1H3
InChIKeyGMQAMEPVRUZDJP-UHFFFAOYSA-N
XLogP6.48
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.44
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole (CID 19586923) is 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole is COc1ccc(Cn2nc(-c3ccc(OC(F)F)cc3)cc2-c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole?
The InChIKey is GMQAMEPVRUZDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N2O3/c1-32-19-8-2-16(3-9-19)15-31-23(18-6-12-21(13-7-18)34-25(28)29)14-22(30-31)17-4-10-20(11-5-17)33-24(26)27/h2-14,24-25H,15H2,1H3.
What are the key properties of 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole?
3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole has a molecular weight of 472.44 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 19586923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).