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

C24H15Cl3F4N2O2 — CID 19587097

IUPAC4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1cccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3cccc(OC(F)F)c3)c2Cl)c1
InChIInChI=1S/C24H15Cl3F4N2O2/c25-16-8-7-15(19(26)11-16)12-33-22(14-4-2-6-18(10-14)35-24(30)31)20(27)21(32-33)13-3-1-5-17(9-13)34-23(28)29/h1-11,23-24H,12H2
InChIKeyFNIGSGPCBIGSHV-UHFFFAOYSA-N
MW545.75 g/mol
LogP8.43
Rot. Bonds8

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

4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole (PubChem CID 19587097) 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[3-(difluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
PubChem CID19587097
Molecular FormulaC24H15Cl3F4N2O2
Molecular Weight545.75 g/mol
Exact Mass544.01
IUPAC Name4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1cccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3cccc(OC(F)F)c3)c2Cl)c1
InChIInChI=1S/C24H15Cl3F4N2O2/c25-16-8-7-15(19(26)11-16)12-33-22(14-4-2-6-18(10-14)35-24(30)31)20(27)21(32-33)13-3-1-5-17(9-13)34-23(28)29/h1-11,23-24H,12H2
InChIKeyFNIGSGPCBIGSHV-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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Related Compounds

4-Chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 22392595
3-Chloro-5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazole
CID 44241548
3-Chloro-4-(2,6-difluoro-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazole
CID 44256428
1-Benzyl-5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)pyrazole
CID 66881156
6-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-[(4-chlorophenoxy)methyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol
CID 170759615
3-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
CID 135065097
3-[3-[(2,4-Dichlorophenyl)methoxy]phenyl]-1-[(3-methylphenyl)methyl]pyrazole
CID 3751369
1-benzyl-4-chloro-3,5-bis(3-methoxyphenyl)-1H-pyrazole
CID 17025063
N-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-(4-chlorophenyl)ethanamine
CID 47009005
3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-methoxybenzyl)-1H-pyrazole
CID 17025448
1-(4-chlorobenzyl)-3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole
CID 17025640
1-(2-chloro-6-fluorobenzyl)-3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole
CID 17025712

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The IUPAC name of 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole (CID 19587097) is 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole is FC(F)Oc1cccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3cccc(OC(F)F)c3)c2Cl)c1.
What is the InChIKey of 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The InChIKey is FNIGSGPCBIGSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl3F4N2O2/c25-16-8-7-15(19(26)11-16)12-33-22(14-4-2-6-18(10-14)35-24(30)31)20(27)21(32-33)13-3-1-5-17(9-13)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[3-(difluoromethoxy)phenyl]pyrazole?
4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis[3-(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[3-(difluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 19587097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).