4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole

C14H11Cl3F2N2O2 — CID 15672040

IUPAC4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESC=CCOc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3F2N2O2/c1-3-4-22-10-5-7(8(15)6-9(10)16)12-11(17)13(21(2)20-12)23-14(18)19/h3,5-6,14H,1,4H2,2H3
InChIKeyITVWABJFZQUHLD-UHFFFAOYSA-N
MW383.61 g/mol
LogP5.21
Rot. Bonds6

About 4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole

4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 15672040) has the molecular formula C14H11Cl3F2N2O2 and a molecular weight of 383.61 g/mol. Its IUPAC name is 4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID15672040
Molecular FormulaC14H11Cl3F2N2O2
Molecular Weight383.61 g/mol
Exact Mass381.99
IUPAC Name4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESC=CCOc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3F2N2O2/c1-3-4-22-10-5-7(8(15)6-9(10)16)12-11(17)13(21(2)20-12)23-14(18)19/h3,5-6,14H,1,4H2,2H3
InChIKeyITVWABJFZQUHLD-UHFFFAOYSA-N
XLogP5.21
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.61
LogP ≤ 55.21
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
3-[3-[2,6-Dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(2,4-dichlorophenyl)-1-methylpyrazole
CID 76323889
3-[3-[2,6-Dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(4-fluorophenyl)-1,4-dimethylpyrazole
CID 76327448
3-[3-[2,6-Dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(2,4-dichlorophenyl)-1,4-dimethylpyrazole
CID 76327449
5-(4-Chlorophenyl)-3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethylpyrazole
CID 76334717
4-chloro-1-(2,4-dichlorobenzyl)-3,5-bis[3-(difluoromethoxy)phenyl]-1H-pyrazole
CID 19587097
4-Chloro-3-[4-chloro-2-fluoro-5-(4-methoxybut-2-ynoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 11407189
1-Methyl-5-difluoromethoxy-4-chloro-3-(2-fluoro-4-chlorophenyl)pyrazole
CID 11438328
3-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 11439056

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole (CID 15672040) is 4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole is C=CCOc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(Cl)cc1Cl.
What is the InChIKey of 4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is ITVWABJFZQUHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3F2N2O2/c1-3-4-22-10-5-7(8(15)6-9(10)16)12-11(17)13(21(2)20-12)23-14(18)19/h3,5-6,14H,1,4H2,2H3.
What are the key properties of 4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 383.61 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,4-dichloro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 15672040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).