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

C11H8ClF3N2 — CID 91804157

IUPAC1-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C11H8ClF3N2/c12-10-4-2-1-3-8(10)6-17-7-9(5-16-17)11(13,14)15/h1-5,7H,6H2
InChIKeyLLQYCWJRAIWSQE-UHFFFAOYSA-N
MW260.65 g/mol
LogP3.60
Rot. Bonds2

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

1-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyrazole (PubChem CID 91804157) has the molecular formula C11H8ClF3N2 and a molecular weight of 260.65 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyrazole
PubChem CID91804157
Molecular FormulaC11H8ClF3N2
Molecular Weight260.65 g/mol
Exact Mass260.03
IUPAC Name1-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C11H8ClF3N2/c12-10-4-2-1-3-8(10)6-17-7-9(5-16-17)11(13,14)15/h1-5,7H,6H2
InChIKeyLLQYCWJRAIWSQE-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-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyrazole (CID 91804157) is 1-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyrazole is FC(F)(F)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyrazole?
The InChIKey is LLQYCWJRAIWSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2/c12-10-4-2-1-3-8(10)6-17-7-9(5-16-17)11(13,14)15/h1-5,7H,6H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyrazole?
1-[(2-chlorophenyl)methyl]-4-(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-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 91804157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).