2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methoxy-5-phenylphenyl)acetamide

C25H19ClF3N3O3 — CID 57458242

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methoxy-5-phenylphenyl)acetamide
SMILESCOc1ccc(-c2ccccc2)cc1NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C25H19ClF3N3O3/c1-34-21-12-11-17(16-7-3-2-4-8-16)13-19(21)30-23(33)15-35-24-14-22(25(27,28)29)31-32(24)20-10-6-5-9-18(20)26/h2-14H,15H2,1H3,(H,30,33)
InChIKeyVBCBLROMZJCQRD-UHFFFAOYSA-N
MW501.89 g/mol
LogP6.24
Rot. Bonds7

About 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methoxy-5-phenylphenyl)acetamide

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methoxy-5-phenylphenyl)acetamide (PubChem CID 57458242) has the molecular formula C25H19ClF3N3O3 and a molecular weight of 501.89 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methoxy-5-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methoxy-5-phenylphenyl)acetamide
PubChem CID57458242
Molecular FormulaC25H19ClF3N3O3
Molecular Weight501.89 g/mol
Exact Mass501.11
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methoxy-5-phenylphenyl)acetamide
SMILESCOc1ccc(-c2ccccc2)cc1NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C25H19ClF3N3O3/c1-34-21-12-11-17(16-7-3-2-4-8-16)13-19(21)30-23(33)15-35-24-14-22(25(27,28)29)31-32(24)20-10-6-5-9-18(20)26/h2-14H,15H2,1H3,(H,30,33)
InChIKeyVBCBLROMZJCQRD-UHFFFAOYSA-N
XLogP6.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.89
LogP ≤ 56.24
H-Bond Donors ≤ 51
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-(2-methoxy-5-phenylphenyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methoxy-5-phenylphenyl)acetamide (CID 57458242) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methoxy-5-phenylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methoxy-5-phenylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methoxy-5-phenylphenyl)acetamide is COc1ccc(-c2ccccc2)cc1NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methoxy-5-phenylphenyl)acetamide?
The InChIKey is VBCBLROMZJCQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3N3O3/c1-34-21-12-11-17(16-7-3-2-4-8-16)13-19(21)30-23(33)15-35-24-14-22(25(27,28)29)31-32(24)20-10-6-5-9-18(20)26/h2-14H,15H2,1H3,(H,30,33).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methoxy-5-phenylphenyl)acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2-methoxy-5-phenylphenyl)acetamide has a molecular weight of 501.89 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 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-(2-methoxy-5-phenylphenyl)acetamide is sourced from PubChem (CID 57458242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).