2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol

C17H12ClF3N2O2 — CID 1416432

IUPAC2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C17H12ClF3N2O2/c1-25-11-6-7-12(13(24)8-11)15-14(9-2-4-10(18)5-3-9)16(23-22-15)17(19,20)21/h2-8,24H,1H3,(H,22,23)
InChIKeyHQIGUEZJTGGOOI-UHFFFAOYSA-N
MW368.74 g/mol
LogP5.13
Rot. Bonds3

About 2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol

2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol (PubChem CID 1416432) has the molecular formula C17H12ClF3N2O2 and a molecular weight of 368.74 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol
PubChem CID1416432
Molecular FormulaC17H12ClF3N2O2
Molecular Weight368.74 g/mol
Exact Mass368.05
IUPAC Name2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C17H12ClF3N2O2/c1-25-11-6-7-12(13(24)8-11)15-14(9-2-4-10(18)5-3-9)16(23-22-15)17(19,20)21/h2-8,24H,1H3,(H,22,23)
InChIKeyHQIGUEZJTGGOOI-UHFFFAOYSA-N
XLogP5.13
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.74
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol?
The IUPAC name of 2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol (CID 1416432) is 2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol?
The canonical SMILES for 2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol is COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol?
The InChIKey is HQIGUEZJTGGOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2/c1-25-11-6-7-12(13(24)8-11)15-14(9-2-4-10(18)5-3-9)16(23-22-15)17(19,20)21/h2-8,24H,1H3,(H,22,23).
What are the key properties of 2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol?
2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol has a molecular weight of 368.74 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol is sourced from PubChem (CID 1416432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).