5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole

C22H13Cl3F2N2O — CID 68880020

IUPAC5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole
SMILESFc1ccc(COc2cc(Cl)cc(Cl)c2-n2nccc2-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C22H13Cl3F2N2O/c23-15-4-2-14(3-5-15)20-7-8-28-29(20)22-17(25)10-16(24)11-21(22)30-12-13-1-6-18(26)19(27)9-13/h1-11H,12H2
InChIKeyJPZCJLXFURGXIG-UHFFFAOYSA-N
MW465.71 g/mol
LogP7.36
Rot. Bonds5

About 5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole

5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole (PubChem CID 68880020) has the molecular formula C22H13Cl3F2N2O and a molecular weight of 465.71 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole
PubChem CID68880020
Molecular FormulaC22H13Cl3F2N2O
Molecular Weight465.71 g/mol
Exact Mass464.01
IUPAC Name5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole
SMILESFc1ccc(COc2cc(Cl)cc(Cl)c2-n2nccc2-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C22H13Cl3F2N2O/c23-15-4-2-14(3-5-15)20-7-8-28-29(20)22-17(25)10-16(24)11-21(22)30-12-13-1-6-18(26)19(27)9-13/h1-11H,12H2
InChIKeyJPZCJLXFURGXIG-UHFFFAOYSA-N
XLogP7.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.71
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57458729
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CID 59239998
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CID 59240039
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CID 59240055
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CID 59240069
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CID 59240074
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CID 59240088

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole (CID 68880020) is 5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole is Fc1ccc(COc2cc(Cl)cc(Cl)c2-n2nccc2-c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole?
The InChIKey is JPZCJLXFURGXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl3F2N2O/c23-15-4-2-14(3-5-15)20-7-8-28-29(20)22-17(25)10-16(24)11-21(22)30-12-13-1-6-18(26)19(27)9-13/h1-11H,12H2.
What are the key properties of 5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole?
5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole has a molecular weight of 465.71 g/mol, XLogP of 7.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-[2,4-dichloro-6-[(3,4-difluorophenyl)methoxy]phenyl]pyrazole is sourced from PubChem (CID 68880020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).