5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole

C11H6ClF5N2 — CID 66020727

IUPAC5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)c1cc(Cl)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H6ClF5N2/c12-9-5-8(10(13)14)18-19(9)7-3-1-2-6(4-7)11(15,16)17/h1-5,10H
InChIKeyYNOYLCWGBSNGNJ-UHFFFAOYSA-N
MW296.63 g/mol
LogP4.48
Rot. Bonds2

About 5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole

5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole (PubChem CID 66020727) has the molecular formula C11H6ClF5N2 and a molecular weight of 296.63 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
PubChem CID66020727
Molecular FormulaC11H6ClF5N2
Molecular Weight296.63 g/mol
Exact Mass296.01
IUPAC Name5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)c1cc(Cl)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H6ClF5N2/c12-9-5-8(10(13)14)18-19(9)7-3-1-2-6(4-7)11(15,16)17/h1-5,10H
InChIKeyYNOYLCWGBSNGNJ-UHFFFAOYSA-N
XLogP4.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.63
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole (CID 66020727) is 5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole is FC(F)c1cc(Cl)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is YNOYLCWGBSNGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF5N2/c12-9-5-8(10(13)14)18-19(9)7-3-1-2-6(4-7)11(15,16)17/h1-5,10H.
What are the key properties of 5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole?
5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 296.63 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 66020727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).