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

C23H31N3O — CID 163492536

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

1,3-dimethyl-N-[11-(4-methylpentyl)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]pyrazole-4-carboxamide (PubChem CID 163492536) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1,3-dimethyl-N-[11-(4-methylpentyl)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1,3-dimethyl-N-[11-(4-methylpentyl)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]pyrazole-4-carboxamide
• PubChem CID: 163492536
• Molecular Formula: C23H31N3O
• Molecular Weight: 365.52 g/mol
• Exact Mass: 365.25
• IUPAC Name: 1,3-dimethyl-N-[11-(4-methylpentyl)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]pyrazole-4-carboxamide
• SMILES: Cc1nn(C)cc1C(=O)Nc1cccc2c1C1CCC2C1CCCC(C)C
• InChI: InChI=1S/C23H31N3O/c1-14(2)7-5-8-16-17-11-12-19(16)22-18(17)9-6-10-21(22)24-23(27)20-13-26(4)25-15(20)3/h6,9-10,13-14,16-17,19H,5,7-8,11-12H2,1-4H3,(H,24,27)
• InChIKey: CNWPVLONQJDMOD-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	365.52
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1,3-dimethyl-N-[11-(4-methylpentyl)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]pyrazole-4-carboxamide (CID 163492536) is 1,3-dimethyl-N-[11-(4-methylpentyl)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]pyrazole-4-carboxamide.

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

The canonical SMILES for 1,3-dimethyl-N-[11-(4-methylpentyl)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1cccc2c1C1CCC2C1CCCC(C)C.

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

The InChIKey is CNWPVLONQJDMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-14(2)7-5-8-16-17-11-12-19(16)22-18(17)9-6-10-21(22)24-23(27)20-13-26(4)25-15(20)3/h6,9-10,13-14,16-17,19H,5,7-8,11-12H2,1-4H3,(H,24,27).

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

1,3-dimethyl-N-[11-(4-methylpentyl)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]pyrazole-4-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-N-[11-(4-methylpentyl)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]pyrazole-4-carboxamide is sourced from PubChem (CID 163492536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).