3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol

C16H10ClF3N2O — CID 59631919

IUPAC3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol
SMILESOc1cccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C16H10ClF3N2O/c17-12-6-1-2-7-13(12)22-14(9-15(21-22)16(18,19)20)10-4-3-5-11(23)8-10/h1-9,23H
InChIKeyRILPZUHAOBLLNA-UHFFFAOYSA-N
MW338.72 g/mol
LogP4.92
Rot. Bonds2

About 3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol

3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol (PubChem CID 59631919) has the molecular formula C16H10ClF3N2O and a molecular weight of 338.72 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol
PubChem CID59631919
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.72 g/mol
Exact Mass338.04
IUPAC Name3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol
SMILESOc1cccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C16H10ClF3N2O/c17-12-6-1-2-7-13(12)22-14(9-15(21-22)16(18,19)20)10-4-3-5-11(23)8-10/h1-9,23H
InChIKeyRILPZUHAOBLLNA-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 3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The IUPAC name of 3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol (CID 59631919) is 3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The canonical SMILES for 3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol is Oc1cccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1.
What is the InChIKey of 3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The InChIKey is RILPZUHAOBLLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O/c17-12-6-1-2-7-13(12)22-14(9-15(21-22)16(18,19)20)10-4-3-5-11(23)8-10/h1-9,23H.
What are the key properties of 3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol?
3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-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 3-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 59631919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).