4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole

C14H12Cl2F4N2O — CID 15278581

IUPAC4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCOc1cc(-c2nn(C(C)C)c(C(F)(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C14H12Cl2F4N2O/c1-6(2)22-13(14(18,19)20)11(16)12(21-22)7-4-10(23-3)8(15)5-9(7)17/h4-6H,1-3H3
InChIKeyJXDSTHLSEZMLNE-UHFFFAOYSA-N
MW371.16 g/mol
LogP5.60
Rot. Bonds3

About 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole

4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole (PubChem CID 15278581) has the molecular formula C14H12Cl2F4N2O and a molecular weight of 371.16 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole
PubChem CID15278581
Molecular FormulaC14H12Cl2F4N2O
Molecular Weight371.16 g/mol
Exact Mass370.03
IUPAC Name4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCOc1cc(-c2nn(C(C)C)c(C(F)(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C14H12Cl2F4N2O/c1-6(2)22-13(14(18,19)20)11(16)12(21-22)7-4-10(23-3)8(15)5-9(7)17/h4-6H,1-3H3
InChIKeyJXDSTHLSEZMLNE-UHFFFAOYSA-N
XLogP5.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.16
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole (CID 15278581) is 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole is COc1cc(-c2nn(C(C)C)c(C(F)(F)F)c2Cl)c(F)cc1Cl.
What is the InChIKey of 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
The InChIKey is JXDSTHLSEZMLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F4N2O/c1-6(2)22-13(14(18,19)20)11(16)12(21-22)7-4-10(23-3)8(15)5-9(7)17/h4-6H,1-3H3.
What are the key properties of 4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole has a molecular weight of 371.16 g/mol, XLogP of 5.60, 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-methoxyphenyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 15278581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).