4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol

C16H10ClF3N2O — CID 11427745

IUPAC4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
SMILESOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H10ClF3N2O/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)21-22(14)12-5-7-13(23)8-6-12/h1-9,23H
InChIKeyAROLJLFJXBUVDT-UHFFFAOYSA-N
MW338.72 g/mol
LogP4.92
Rot. Bonds2

About 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol

4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol (PubChem CID 11427745) has the molecular formula C16H10ClF3N2O and a molecular weight of 338.72 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
PubChem CID11427745
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.72 g/mol
Exact Mass338.04
IUPAC Name4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
SMILESOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H10ClF3N2O/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)21-22(14)12-5-7-13(23)8-6-12/h1-9,23H
InChIKeyAROLJLFJXBUVDT-UHFFFAOYSA-N
XLogP4.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol?
The IUPAC name of 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol (CID 11427745) is 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol is Oc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol?
The InChIKey is AROLJLFJXBUVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)21-22(14)12-5-7-13(23)8-6-12/h1-9,23H.
What are the key properties of 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol?
4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol has a molecular weight of 338.72 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 11427745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).