3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide

C20H25F2N3O — CID 163942841

About 3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide (PubChem CID 163942841) has the molecular formula C20H25F2N3O and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide
• PubChem CID: 163942841
• Molecular Formula: C20H25F2N3O
• Molecular Weight: 361.44 g/mol
• Exact Mass: 361.20
• IUPAC Name: 3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide
• SMILES: CCCC1C2CCC1(NC(=O)c1cn(C)nc1C(F)F)C1=C2C=CCC1
• InChI: InChI=1S/C20H25F2N3O/c1-3-6-15-13-9-10-20(15,16-8-5-4-7-12(13)16)23-19(26)14-11-25(2)24-17(14)18(21)22/h4,7,11,13,15,18H,3,5-6,8-10H2,1-2H3,(H,23,26)
• InChIKey: RSNCSDJFDCSUCN-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.44
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide?

The IUPAC name of 3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide (CID 163942841) is 3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide.

What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide?

The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide is CCCC1C2CCC1(NC(=O)c1cn(C)nc1C(F)F)C1=C2C=CCC1.

What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide?

The InChIKey is RSNCSDJFDCSUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O/c1-3-6-15-13-9-10-20(15,16-8-5-4-7-12(13)16)23-19(26)14-11-25(2)24-17(14)18(21)22/h4,7,11,13,15,18H,3,5-6,8-10H2,1-2H3,(H,23,26).

What are the key properties of 3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide?

3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-1-methyl-N-(11-propyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)pyrazole-4-carboxamide is sourced from PubChem (CID 163942841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).