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

C24H16ClF5N2O2 — CID 19588188

IUPAC4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]pyrazole
SMILESFc1ccc(Cn2nc(-c3cccc(OC(F)F)c3)c(Cl)c2-c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C24H16ClF5N2O2/c25-20-21(15-3-1-5-18(11-15)33-23(27)28)31-32(13-14-7-9-17(26)10-8-14)22(20)16-4-2-6-19(12-16)34-24(29)30/h1-12,23-24H,13H2
InChIKeyOGXIJEAKUCNZJD-UHFFFAOYSA-N
MW494.85 g/mol
LogP7.26
Rot. Bonds8

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

4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]pyrazole (PubChem CID 19588188) has the molecular formula C24H16ClF5N2O2 and a molecular weight of 494.85 g/mol. Its IUPAC name is 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]pyrazole
PubChem CID19588188
Molecular FormulaC24H16ClF5N2O2
Molecular Weight494.85 g/mol
Exact Mass494.08
IUPAC Name4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]pyrazole
SMILESFc1ccc(Cn2nc(-c3cccc(OC(F)F)c3)c(Cl)c2-c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C24H16ClF5N2O2/c25-20-21(15-3-1-5-18(11-15)33-23(27)28)31-32(13-14-7-9-17(26)10-8-14)22(20)16-4-2-6-19(12-16)34-24(29)30/h1-12,23-24H,13H2
InChIKeyOGXIJEAKUCNZJD-UHFFFAOYSA-N
XLogP7.26
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.85
LogP ≤ 57.26
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[3-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]pyrazole?
The IUPAC name of 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]pyrazole (CID 19588188) is 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]pyrazole.
What is the SMILES notation for 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]pyrazole?
The canonical SMILES for 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]pyrazole is Fc1ccc(Cn2nc(-c3cccc(OC(F)F)c3)c(Cl)c2-c2cccc(OC(F)F)c2)cc1.
What is the InChIKey of 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]pyrazole?
The InChIKey is OGXIJEAKUCNZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF5N2O2/c25-20-21(15-3-1-5-18(11-15)33-23(27)28)31-32(13-14-7-9-17(26)10-8-14)22(20)16-4-2-6-19(12-16)34-24(29)30/h1-12,23-24H,13H2.
What are the key properties of 4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]pyrazole?
4-chloro-3,5-bis[3-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]pyrazole has a molecular weight of 494.85 g/mol, XLogP of 7.26, 8 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[3-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]pyrazole is sourced from PubChem (CID 19588188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).