5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole

C16H10ClF3N2O — CID 121305761

IUPAC5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole
SMILESFC(F)(F)c1ccc(Oc2cn[nH]c2-c2ccccc2Cl)cc1
InChIInChI=1S/C16H10ClF3N2O/c17-13-4-2-1-3-12(13)15-14(9-21-22-15)23-11-7-5-10(6-8-11)16(18,19)20/h1-9H,(H,21,22)
InChIKeyHDBPLIRSLJPHRZ-UHFFFAOYSA-N
MW338.72 g/mol
LogP5.54
Rot. Bonds3

About 5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole

5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole (PubChem CID 121305761) has the molecular formula C16H10ClF3N2O and a molecular weight of 338.72 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole
PubChem CID121305761
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.72 g/mol
Exact Mass338.04
IUPAC Name5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole
SMILESFC(F)(F)c1ccc(Oc2cn[nH]c2-c2ccccc2Cl)cc1
InChIInChI=1S/C16H10ClF3N2O/c17-13-4-2-1-3-12(13)15-14(9-21-22-15)23-11-7-5-10(6-8-11)16(18,19)20/h1-9H,(H,21,22)
InChIKeyHDBPLIRSLJPHRZ-UHFFFAOYSA-N
XLogP5.54
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.72
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole?
The IUPAC name of 5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole (CID 121305761) is 5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole?
The canonical SMILES for 5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole is FC(F)(F)c1ccc(Oc2cn[nH]c2-c2ccccc2Cl)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole?
The InChIKey is HDBPLIRSLJPHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O/c17-13-4-2-1-3-12(13)15-14(9-21-22-15)23-11-7-5-10(6-8-11)16(18,19)20/h1-9H,(H,21,22).
What are the key properties of 5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole?
5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole has a molecular weight of 338.72 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole is sourced from PubChem (CID 121305761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).