2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide

C19H15ClF3N3O3 — CID 57458263

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1O
InChIInChI=1S/C19H15ClF3N3O3/c1-11-6-7-12(8-15(11)27)24-17(28)10-29-18-9-16(19(21,22)23)25-26(18)14-5-3-2-4-13(14)20/h2-9,27H,10H2,1H3,(H,24,28)
InChIKeyMHCVZLDVJKZPPF-UHFFFAOYSA-N
MW425.79 g/mol
LogP4.58
Rot. Bonds5

About 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide (PubChem CID 57458263) has the molecular formula C19H15ClF3N3O3 and a molecular weight of 425.79 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide
PubChem CID57458263
Molecular FormulaC19H15ClF3N3O3
Molecular Weight425.79 g/mol
Exact Mass425.08
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1O
InChIInChI=1S/C19H15ClF3N3O3/c1-11-6-7-12(8-15(11)27)24-17(28)10-29-18-9-16(19(21,22)23)25-26(18)14-5-3-2-4-13(14)20/h2-9,27H,10H2,1H3,(H,24,28)
InChIKeyMHCVZLDVJKZPPF-UHFFFAOYSA-N
XLogP4.58
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.79
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide (CID 57458263) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1O.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide?
The InChIKey is MHCVZLDVJKZPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O3/c1-11-6-7-12(8-15(11)27)24-17(28)10-29-18-9-16(19(21,22)23)25-26(18)14-5-3-2-4-13(14)20/h2-9,27H,10H2,1H3,(H,24,28).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide has a molecular weight of 425.79 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(3-hydroxy-4-methylphenyl)acetamide is sourced from PubChem (CID 57458263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).