4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole

C18H13ClF4N2O — CID 146433212

IUPAC4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c(C(F)(F)F)n1
InChIInChI=1S/C18H13ClF4N2O/c1-25-9-15(17(24-25)18(21,22)23)14-7-6-13(8-16(14)20)26-10-11-2-4-12(19)5-3-11/h2-9H,10H2,1H3
InChIKeyNDBWEXVZEITRHO-UHFFFAOYSA-N
MW384.76 g/mol
LogP5.48
Rot. Bonds4

About 4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole

4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 146433212) has the molecular formula C18H13ClF4N2O and a molecular weight of 384.76 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID146433212
Molecular FormulaC18H13ClF4N2O
Molecular Weight384.76 g/mol
Exact Mass384.07
IUPAC Name4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c(C(F)(F)F)n1
InChIInChI=1S/C18H13ClF4N2O/c1-25-9-15(17(24-25)18(21,22)23)14-7-6-13(8-16(14)20)26-10-11-2-4-12(19)5-3-11/h2-9H,10H2,1H3
InChIKeyNDBWEXVZEITRHO-UHFFFAOYSA-N
XLogP5.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.76
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole (CID 146433212) is 4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole is Cn1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c(C(F)(F)F)n1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is NDBWEXVZEITRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF4N2O/c1-25-9-15(17(24-25)18(21,22)23)14-7-6-13(8-16(14)20)26-10-11-2-4-12(19)5-3-11/h2-9H,10H2,1H3.
What are the key properties of 4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole?
4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 384.76 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 146433212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).