4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol

C16H10ClF3N2O — CID 4671275

IUPAC4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(Cl)cc1-c1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C16H10ClF3N2O/c17-11-5-6-15(23)12(7-11)14-8-13(21-22-14)9-1-3-10(4-2-9)16(18,19)20/h1-8,23H,(H,21,22)
InChIKeyZLQZKHARRKYQJU-UHFFFAOYSA-N
MW338.72 g/mol
LogP5.12
Rot. Bonds2

About 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol

4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol (PubChem CID 4671275) has the molecular formula C16H10ClF3N2O and a molecular weight of 338.72 g/mol. Its IUPAC name is 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol
PubChem CID4671275
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.72 g/mol
Exact Mass338.04
IUPAC Name4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(Cl)cc1-c1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C16H10ClF3N2O/c17-11-5-6-15(23)12(7-11)14-8-13(21-22-14)9-1-3-10(4-2-9)16(18,19)20/h1-8,23H,(H,21,22)
InChIKeyZLQZKHARRKYQJU-UHFFFAOYSA-N
XLogP5.12
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.72
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol (CID 4671275) is 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol is Oc1ccc(Cl)cc1-c1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1.
What is the InChIKey of 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol?
The InChIKey is ZLQZKHARRKYQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O/c17-11-5-6-15(23)12(7-11)14-8-13(21-22-14)9-1-3-10(4-2-9)16(18,19)20/h1-8,23H,(H,21,22).
What are the key properties of 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol?
4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol has a molecular weight of 338.72 g/mol, XLogP of 5.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 4671275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).