3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole

C11H5ClF6N2O — CID 175879284

IUPAC3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole
SMILESFC(F)(F)Oc1ccc(-c2ccn(C(F)(F)F)n2)cc1Cl
InChIInChI=1S/C11H5ClF6N2O/c12-7-5-6(1-2-9(7)21-11(16,17)18)8-3-4-20(19-8)10(13,14)15/h1-5H
InChIKeyHHPZREKNEXEAIY-UHFFFAOYSA-N
MW330.62 g/mol
LogP4.58
Rot. Bonds2

About 3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole

3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole (PubChem CID 175879284) has the molecular formula C11H5ClF6N2O and a molecular weight of 330.62 g/mol. Its IUPAC name is 3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole
PubChem CID175879284
Molecular FormulaC11H5ClF6N2O
Molecular Weight330.62 g/mol
Exact Mass330.00
IUPAC Name3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole
SMILESFC(F)(F)Oc1ccc(-c2ccn(C(F)(F)F)n2)cc1Cl
InChIInChI=1S/C11H5ClF6N2O/c12-7-5-6(1-2-9(7)21-11(16,17)18)8-3-4-20(19-8)10(13,14)15/h1-5H
InChIKeyHHPZREKNEXEAIY-UHFFFAOYSA-N
XLogP4.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.62
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidine-2-carboxylic acid
CID 134142257
4-[4-(bromomethyl)phenyl]-2-chloro-1-(trifluoromethoxy)benzene
CID 44627771
2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 175748253
5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 164893356
6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 87178629
(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171242411
4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine
CID 46831438
(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171227788
5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 166275064
1-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 123919378
bromozinc(1+);2-chloro-4-methanidyl-1-(trifluoromethoxy)benzene
CID 146001700
5-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(1-propylindol-4-yl)-1,2,4-oxadiazole
CID 151595327

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole?
The IUPAC name of 3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole (CID 175879284) is 3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole is FC(F)(F)Oc1ccc(-c2ccn(C(F)(F)F)n2)cc1Cl.
What is the InChIKey of 3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole?
The InChIKey is HHPZREKNEXEAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF6N2O/c12-7-5-6(1-2-9(7)21-11(16,17)18)8-3-4-20(19-8)10(13,14)15/h1-5H.
What are the key properties of 3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole?
3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole has a molecular weight of 330.62 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole is sourced from PubChem (CID 175879284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).