1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole

C23H14Cl2F4N2O2 — CID 19587149

IUPAC1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1cccc(-c2cc(-c3cccc(OC(F)F)c3)n(-c3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C23H14Cl2F4N2O2/c24-15-7-8-20(18(25)11-15)31-21(14-4-2-6-17(10-14)33-23(28)29)12-19(30-31)13-3-1-5-16(9-13)32-22(26)27/h1-12,22-23H
InChIKeyDLKULFYLTDUTKJ-UHFFFAOYSA-N
MW497.28 g/mol
LogP7.72
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole

1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole (PubChem CID 19587149) has the molecular formula C23H14Cl2F4N2O2 and a molecular weight of 497.28 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
PubChem CID19587149
Molecular FormulaC23H14Cl2F4N2O2
Molecular Weight497.28 g/mol
Exact Mass496.04
IUPAC Name1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1cccc(-c2cc(-c3cccc(OC(F)F)c3)n(-c3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C23H14Cl2F4N2O2/c24-15-7-8-20(18(25)11-15)31-21(14-4-2-6-17(10-14)33-23(28)29)12-19(30-31)13-3-1-5-16(9-13)32-22(26)27/h1-12,22-23H
InChIKeyDLKULFYLTDUTKJ-UHFFFAOYSA-N
XLogP7.72
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.28
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The IUPAC name of 1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole (CID 19587149) is 1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole is FC(F)Oc1cccc(-c2cc(-c3cccc(OC(F)F)c3)n(-c3ccc(Cl)cc3Cl)n2)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The InChIKey is DLKULFYLTDUTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F4N2O2/c24-15-7-8-20(18(25)11-15)31-21(14-4-2-6-17(10-14)33-23(28)29)12-19(30-31)13-3-1-5-16(9-13)32-22(26)27/h1-12,22-23H.
What are the key properties of 1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole has a molecular weight of 497.28 g/mol, XLogP of 7.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 19587149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).