5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole

C19H9Cl2F9N2O — CID 139832569

IUPAC5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(COc2c(C(F)(F)F)cnn2-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C19H9Cl2F9N2O/c20-12-1-2-15(14(21)6-12)32-16(13(7-31-32)19(28,29)30)33-8-9-3-10(17(22,23)24)5-11(4-9)18(25,26)27/h1-7H,8H2
InChIKeyUVFITBIDCZPQSK-UHFFFAOYSA-N
MW523.18 g/mol
LogP7.81
Rot. Bonds4

About 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole

5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole (PubChem CID 139832569) has the molecular formula C19H9Cl2F9N2O and a molecular weight of 523.18 g/mol. Its IUPAC name is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole
PubChem CID139832569
Molecular FormulaC19H9Cl2F9N2O
Molecular Weight523.18 g/mol
Exact Mass521.99
IUPAC Name5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(COc2c(C(F)(F)F)cnn2-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C19H9Cl2F9N2O/c20-12-1-2-15(14(21)6-12)32-16(13(7-31-32)19(28,29)30)33-8-9-3-10(17(22,23)24)5-11(4-9)18(25,26)27/h1-7H,8H2
InChIKeyUVFITBIDCZPQSK-UHFFFAOYSA-N
XLogP7.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.18
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole?
The IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole (CID 139832569) is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(COc2c(C(F)(F)F)cnn2-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole?
The InChIKey is UVFITBIDCZPQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl2F9N2O/c20-12-1-2-15(14(21)6-12)32-16(13(7-31-32)19(28,29)30)33-8-9-3-10(17(22,23)24)5-11(4-9)18(25,26)27/h1-7H,8H2.
What are the key properties of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole?
5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole has a molecular weight of 523.18 g/mol, XLogP of 7.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 139832569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).