2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide

C17H18F3N3O2 — CID 998479

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C)c1
InChIInChI=1S/C17H18F3N3O2/c1-10-7-12(25-2)5-6-13(10)21-16(24)9-23-14(11-3-4-11)8-15(22-23)17(18,19)20/h5-8,11H,3-4,9H2,1-2H3,(H,21,24)
InChIKeyBQZHYBJTKMYHAH-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.74
Rot. Bonds5

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide (PubChem CID 998479) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide
PubChem CID998479
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C)c1
InChIInChI=1S/C17H18F3N3O2/c1-10-7-12(25-2)5-6-13(10)21-16(24)9-23-14(11-3-4-11)8-15(22-23)17(18,19)20/h5-8,11H,3-4,9H2,1-2H3,(H,21,24)
InChIKeyBQZHYBJTKMYHAH-UHFFFAOYSA-N
XLogP3.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide (CID 998479) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide is COc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C)c1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide?
The InChIKey is BQZHYBJTKMYHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-10-7-12(25-2)5-6-13(10)21-16(24)9-23-14(11-3-4-11)8-15(22-23)17(18,19)20/h5-8,11H,3-4,9H2,1-2H3,(H,21,24).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide has a molecular weight of 353.34 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide is sourced from PubChem (CID 998479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).