4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole

C18H13Cl2F3N2O2 — CID 15376691

IUPAC4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c(Cl)c1OC(F)F
InChIInChI=1S/C18H13Cl2F3N2O2/c1-25-17(27-18(22)23)15(20)16(24-25)13-7-6-12(8-14(13)21)26-9-10-2-4-11(19)5-3-10/h2-8,18H,9H2,1H3
InChIKeyFLROXDUEBXIVPR-UHFFFAOYSA-N
MW417.21 g/mol
LogP5.71
Rot. Bonds6

About 4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole

4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 15376691) has the molecular formula C18H13Cl2F3N2O2 and a molecular weight of 417.21 g/mol. Its IUPAC name is 4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID15376691
Molecular FormulaC18H13Cl2F3N2O2
Molecular Weight417.21 g/mol
Exact Mass416.03
IUPAC Name4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c(Cl)c1OC(F)F
InChIInChI=1S/C18H13Cl2F3N2O2/c1-25-17(27-18(22)23)15(20)16(24-25)13-7-6-12(8-14(13)21)26-9-10-2-4-11(19)5-3-10/h2-8,18H,9H2,1H3
InChIKeyFLROXDUEBXIVPR-UHFFFAOYSA-N
XLogP5.71
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.21
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyraflufen-ethyl
CID 182951
4-Chloro-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-difluoromethoxy-1-methylpyrazole
CID 11324880
4-Chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 22392595
(Z)-N-[[4-chloro-5-(4-chlorophenyl)-2-methylpyrazol-3-yl]methoxy]-1-[1,3-dimethyl-5-(4-methylphenoxy)pyrazol-4-yl]methanimine
CID 145979654
(Z)-N-[[4-chloro-5-(4-chlorophenyl)-2-methylpyrazol-3-yl]methoxy]-1-[5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanimine
CID 145980731
5-(4-Chlorophenyl)-3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1-methylpyrazole
CID 58361136
4-[6-(2-Chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 6482611
2-(4-Chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(4-phenoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 56965081
3-[3-[2,6-Dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(4-ethoxyphenyl)-1,4-dimethylpyrazole
CID 76309309
3-[4-[2,6-Dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]butoxy]-5-(4-ethylphenyl)-1,4-dimethylpyrazole
CID 76313015
3-[3-[2,6-Dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-phenylpyrazole
CID 76320243
3-[3-[2,6-Dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(2,4-dichlorophenyl)-1-methylpyrazole
CID 76323889

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole (CID 15376691) is 4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole is Cn1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c(Cl)c1OC(F)F.
What is the InChIKey of 4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is FLROXDUEBXIVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F3N2O2/c1-25-17(27-18(22)23)15(20)16(24-25)13-7-6-12(8-14(13)21)26-9-10-2-4-11(19)5-3-10/h2-8,18H,9H2,1H3.
What are the key properties of 4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole?
4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 417.21 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 15376691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).