4-chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole

C15H13Cl2F3N2O2 — CID 15672199

IUPAC4-chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
SMILESC=C(C)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C15H13Cl2F3N2O2/c1-7(2)6-23-11-4-8(10(18)5-9(11)16)13-12(17)14(22(3)21-13)24-15(19)20/h4-5,15H,1,6H2,2-3H3
InChIKeyKYTXHZQGAKMAEV-UHFFFAOYSA-N
MW381.18 g/mol
LogP5.09
Rot. Bonds6

About 4-chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole

4-chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 15672199) has the molecular formula C15H13Cl2F3N2O2 and a molecular weight of 381.18 g/mol. Its IUPAC name is 4-chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID15672199
Molecular FormulaC15H13Cl2F3N2O2
Molecular Weight381.18 g/mol
Exact Mass380.03
IUPAC Name4-chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
SMILESC=C(C)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C15H13Cl2F3N2O2/c1-7(2)6-23-11-4-8(10(18)5-9(11)16)13-12(17)14(22(3)21-13)24-15(19)20/h4-5,15H,1,6H2,2-3H3
InChIKeyKYTXHZQGAKMAEV-UHFFFAOYSA-N
XLogP5.09
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.18
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Pyraflufen-ethyl
CID 182951
Pyraflufen
CID 15672202
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
4-Chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1H-pyrazole
CID 101126842
4-[6-(2-Chloro-4-methoxy-phenoxy)hexyl]-1,3,5-trimethyl-pyrazole
CID 6482602
4-[5-(2-Chloro-4-methoxy-phenoxy)pentyl]-3,5-diethyl-1-methyl-pyrazole
CID 6482606
4-[6-(2-Chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-1-methyl-pyrazole
CID 6482607
4-[7-(2-Chloro-4-methoxy-phenoxy)heptyl]-1,3,5-trimethyl-pyrazole
CID 6482609
4-[6-(2-Chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 6482611
3-[3-[2,6-Dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(4-fluorophenyl)-1,4-dimethylpyrazole
CID 76327448
5-(4-Chlorophenyl)-3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethylpyrazole
CID 76334717

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 4-chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole (CID 15672199) is 4-chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole is C=C(C)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl.
What is the InChIKey of 4-chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is KYTXHZQGAKMAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F3N2O2/c1-7(2)6-23-11-4-8(10(18)5-9(11)16)13-12(17)14(22(3)21-13)24-15(19)20/h4-5,15H,1,6H2,2-3H3.
What are the key properties of 4-chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole?
4-chloro-3-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 381.18 g/mol, XLogP of 5.09, 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-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 15672199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).