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

C24H15Cl3F4N2O2 — CID 19587624

IUPAC4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1ccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1
InChIInChI=1S/C24H15Cl3F4N2O2/c25-16-6-1-15(19(26)11-16)12-33-22(14-4-9-18(10-5-14)35-24(30)31)20(27)21(32-33)13-2-7-17(8-3-13)34-23(28)29/h1-11,23-24H,12H2
InChIKeyZNAQAFFENADRNG-UHFFFAOYSA-N
MW545.75 g/mol
LogP8.43
Rot. Bonds8

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

4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole (PubChem CID 19587624) has the molecular formula C24H15Cl3F4N2O2 and a molecular weight of 545.75 g/mol. Its IUPAC name is 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
PubChem CID19587624
Molecular FormulaC24H15Cl3F4N2O2
Molecular Weight545.75 g/mol
Exact Mass544.01
IUPAC Name4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1ccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1
InChIInChI=1S/C24H15Cl3F4N2O2/c25-16-6-1-15(19(26)11-16)12-33-22(14-4-9-18(10-5-14)35-24(30)31)20(27)21(32-33)13-2-7-17(8-3-13)34-23(28)29/h1-11,23-24H,12H2
InChIKeyZNAQAFFENADRNG-UHFFFAOYSA-N
XLogP8.43
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.75
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The IUPAC name of 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole (CID 19587624) is 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole is FC(F)Oc1ccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1.
What is the InChIKey of 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The InChIKey is ZNAQAFFENADRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl3F4N2O2/c25-16-6-1-15(19(26)11-16)12-33-22(14-4-9-18(10-5-14)35-24(30)31)20(27)21(32-33)13-2-7-17(8-3-13)34-23(28)29/h1-11,23-24H,12H2.
What are the key properties of 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole has a molecular weight of 545.75 g/mol, XLogP of 8.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 19587624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).