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

C20H20F3N5O — CID 19520859

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

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide (PubChem CID 19520859) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
• PubChem CID: 19520859
• Molecular Formula: C20H20F3N5O
• Molecular Weight: 403.41 g/mol
• Exact Mass: 403.16
• IUPAC Name: 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
• SMILES: Cc1ccccc1Cn1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cn1
• InChI: InChI=1S/C20H20F3N5O/c1-13-4-2-3-5-15(13)10-27-11-16(9-24-27)25-19(29)12-28-17(14-6-7-14)8-18(26-28)20(21,22)23/h2-5,8-9,11,14H,6-7,10,12H2,1H3,(H,25,29)
• InChIKey: FENCIRACBMLRRO-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.41
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide?

The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide (CID 19520859) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide.

What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide?

The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide is Cc1ccccc1Cn1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cn1.

What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide?

The InChIKey is FENCIRACBMLRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-13-4-2-3-5-15(13)10-27-11-16(9-24-27)25-19(29)12-28-17(14-6-7-14)8-18(26-28)20(21,22)23/h2-5,8-9,11,14H,6-7,10,12H2,1H3,(H,25,29).

What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide?

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide has a molecular weight of 403.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 19520859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).