1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole

C11H8ClF3N2 — CID 66022794

IUPAC1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(Cl)n(Cc2ccccc2)n1
InChIInChI=1S/C11H8ClF3N2/c12-10-6-9(11(13,14)15)16-17(10)7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyFGBPWYDORURQNO-UHFFFAOYSA-N
MW260.65 g/mol
LogP3.60
Rot. Bonds2

About 1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole

1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole (PubChem CID 66022794) has the molecular formula C11H8ClF3N2 and a molecular weight of 260.65 g/mol. Its IUPAC name is 1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole
PubChem CID66022794
Molecular FormulaC11H8ClF3N2
Molecular Weight260.65 g/mol
Exact Mass260.03
IUPAC Name1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(Cl)n(Cc2ccccc2)n1
InChIInChI=1S/C11H8ClF3N2/c12-10-6-9(11(13,14)15)16-17(10)7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyFGBPWYDORURQNO-UHFFFAOYSA-N
XLogP3.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole (CID 66022794) is 1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(Cl)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole?
The InChIKey is FGBPWYDORURQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2/c12-10-6-9(11(13,14)15)16-17(10)7-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole?
1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole has a molecular weight of 260.65 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 66022794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).