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

C14H11Cl2F3N2O2 — CID 15672198

IUPAC4-chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESC=CCOc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C14H11Cl2F3N2O2/c1-3-4-22-10-5-7(9(17)6-8(10)15)12-11(16)13(21(2)20-12)23-14(18)19/h3,5-6,14H,1,4H2,2H3
InChIKeyCRMSYXCGDSZFMB-UHFFFAOYSA-N
MW367.15 g/mol
LogP4.70
Rot. Bonds6

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

4-chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 15672198) has the molecular formula C14H11Cl2F3N2O2 and a molecular weight of 367.15 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID15672198
Molecular FormulaC14H11Cl2F3N2O2
Molecular Weight367.15 g/mol
Exact Mass366.01
IUPAC Name4-chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESC=CCOc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C14H11Cl2F3N2O2/c1-3-4-22-10-5-7(9(17)6-8(10)15)12-11(16)13(21(2)20-12)23-14(18)19/h3,5-6,14H,1,4H2,2H3
InChIKeyCRMSYXCGDSZFMB-UHFFFAOYSA-N
XLogP4.70
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole (CID 15672198) is 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole is C=CCOc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl.
What is the InChIKey of 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is CRMSYXCGDSZFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N2O2/c1-3-4-22-10-5-7(9(17)6-8(10)15)12-11(16)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-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
4-chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 367.15 g/mol, XLogP of 4.70, 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-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 15672198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).