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

C16H16F3N3O — CID 844032

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H16F3N3O/c1-10-4-2-3-5-12(10)20-15(23)9-22-13(11-6-7-11)8-14(21-22)16(17,18)19/h2-5,8,11H,6-7,9H2,1H3,(H,20,23)
InChIKeyRUIHFLXIBGAIIZ-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.73
Rot. Bonds4

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

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 844032) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID844032
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H16F3N3O/c1-10-4-2-3-5-12(10)20-15(23)9-22-13(11-6-7-11)8-14(21-22)16(17,18)19/h2-5,8,11H,6-7,9H2,1H3,(H,20,23)
InChIKeyRUIHFLXIBGAIIZ-UHFFFAOYSA-N
XLogP3.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylphenyl)acetamide (CID 844032) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is RUIHFLXIBGAIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-10-4-2-3-5-12(10)20-15(23)9-22-13(11-6-7-11)8-14(21-22)16(17,18)19/h2-5,8,11H,6-7,9H2,1H3,(H,20,23).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylphenyl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 323.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 844032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).