4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole

C14H8Cl2F4N2O — CID 15390078

IUPAC4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESC#CCOc1cc(-c2nn(C)c(C(F)(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C14H8Cl2F4N2O/c1-3-4-23-10-5-7(9(17)6-8(10)15)12-11(16)13(14(18,19)20)22(2)21-12/h1,5-6H,4H2,2H3
InChIKeyQJMJRDIJZUOEGD-UHFFFAOYSA-N
MW367.13 g/mol
LogP4.56
Rot. Bonds3

About 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole

4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 15390078) has the molecular formula C14H8Cl2F4N2O and a molecular weight of 367.13 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID15390078
Molecular FormulaC14H8Cl2F4N2O
Molecular Weight367.13 g/mol
Exact Mass365.99
IUPAC Name4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESC#CCOc1cc(-c2nn(C)c(C(F)(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C14H8Cl2F4N2O/c1-3-4-23-10-5-7(9(17)6-8(10)15)12-11(16)13(14(18,19)20)22(2)21-12/h1,5-6H,4H2,2H3
InChIKeyQJMJRDIJZUOEGD-UHFFFAOYSA-N
XLogP4.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.13
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 182951
Pyraflufen
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CID 11523546
2-[2-Chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenoxy]-4,6-dimethoxy-1,3,5-triazine
CID 11762415
2-[5-(4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazole-3-yl)-2,4-dichlorophenoxy]propionyl chloride
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole (CID 15390078) is 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole is C#CCOc1cc(-c2nn(C)c(C(F)(F)F)c2Cl)c(F)cc1Cl.
What is the InChIKey of 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is QJMJRDIJZUOEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F4N2O/c1-3-4-23-10-5-7(9(17)6-8(10)15)12-11(16)13(14(18,19)20)22(2)21-12/h1,5-6H,4H2,2H3.
What are the key properties of 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 367.13 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 15390078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).