4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole

C23H14ClF5N2O2 — CID 19586922

IUPAC4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole
SMILESFc1cccc(-n2nc(-c3ccc(OC(F)F)cc3)c(Cl)c2-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C23H14ClF5N2O2/c24-19-20(13-4-8-17(9-5-13)32-22(26)27)30-31(16-3-1-2-15(25)12-16)21(19)14-6-10-18(11-7-14)33-23(28)29/h1-12,22-23H
InChIKeyZMBXBPQKYUTLJC-UHFFFAOYSA-N
MW480.82 g/mol
LogP7.20
Rot. Bonds7

About 4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole

4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole (PubChem CID 19586922) has the molecular formula C23H14ClF5N2O2 and a molecular weight of 480.82 g/mol. Its IUPAC name is 4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole.

Molecular Properties

Compound Name4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole
PubChem CID19586922
Molecular FormulaC23H14ClF5N2O2
Molecular Weight480.82 g/mol
Exact Mass480.07
IUPAC Name4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole
SMILESFc1cccc(-n2nc(-c3ccc(OC(F)F)cc3)c(Cl)c2-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C23H14ClF5N2O2/c24-19-20(13-4-8-17(9-5-13)32-22(26)27)30-31(16-3-1-2-15(25)12-16)21(19)14-6-10-18(11-7-14)33-23(28)29/h1-12,22-23H
InChIKeyZMBXBPQKYUTLJC-UHFFFAOYSA-N
XLogP7.20
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.82
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole?
The IUPAC name of 4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole (CID 19586922) is 4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole.
What is the SMILES notation for 4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole?
The canonical SMILES for 4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole is Fc1cccc(-n2nc(-c3ccc(OC(F)F)cc3)c(Cl)c2-c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole?
The InChIKey is ZMBXBPQKYUTLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF5N2O2/c24-19-20(13-4-8-17(9-5-13)32-22(26)27)30-31(16-3-1-2-15(25)12-16)21(19)14-6-10-18(11-7-14)33-23(28)29/h1-12,22-23H.
What are the key properties of 4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole?
4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole has a molecular weight of 480.82 g/mol, XLogP of 7.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)pyrazole is sourced from PubChem (CID 19586922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).