1-methyl-3-propan-2-yl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide

C22H29N3O — CID 59403645

About 1-methyl-3-propan-2-yl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide

1-methyl-3-propan-2-yl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide (PubChem CID 59403645) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-3-propan-2-yl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
• PubChem CID: 59403645
• Molecular Formula: C22H29N3O
• Molecular Weight: 351.49 g/mol
• Exact Mass: 351.23
• IUPAC Name: 1-methyl-3-propan-2-yl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
• SMILES: CC(C)c1nn(C)cc1C(=O)Nc1cccc2c1C1CCC2C1C(C)C
• InChI: InChI=1S/C22H29N3O/c1-12(2)19-15-9-10-16(19)20-14(15)7-6-8-18(20)23-22(26)17-11-25(5)24-21(17)13(3)4/h6-8,11-13,15-16,19H,9-10H2,1-5H3,(H,23,26)
• InChIKey: ZDDLIKOPHLJQSA-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	351.49
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-methyl-3-propan-2-yl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide (CID 59403645) is 1-methyl-3-propan-2-yl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide.

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

The canonical SMILES for 1-methyl-3-propan-2-yl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide is CC(C)c1nn(C)cc1C(=O)Nc1cccc2c1C1CCC2C1C(C)C.

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

The InChIKey is ZDDLIKOPHLJQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-12(2)19-15-9-10-16(19)20-14(15)7-6-8-18(20)23-22(26)17-11-25(5)24-21(17)13(3)4/h6-8,11-13,15-16,19H,9-10H2,1-5H3,(H,23,26).

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

1-methyl-3-propan-2-yl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-propan-2-yl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide is sourced from PubChem (CID 59403645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).