N-[(1R,4R)-1-carbamoyl-4-tricyclo[5.2.1.03,9]decanyl]-1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-5-morpholin-4-ylpyrazole-4-carboxamide

C26H36N6O3 — CID 70909399

About N-[(1R,4R)-1-carbamoyl-4-tricyclo[5.2.1.03,9]decanyl]-1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-5-morpholin-4-ylpyrazole-4-carboxamide

N-[(1R,4R)-1-carbamoyl-4-tricyclo[5.2.1.03,9]decanyl]-1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-5-morpholin-4-ylpyrazole-4-carboxamide (PubChem CID 70909399) has the molecular formula C26H36N6O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[(1R,4R)-1-carbamoyl-4-tricyclo[5.2.1.03,9]decanyl]-1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-5-morpholin-4-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,4R)-1-carbamoyl-4-tricyclo[5.2.1.03,9]decanyl]-1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-5-morpholin-4-ylpyrazole-4-carboxamide
• PubChem CID: 70909399
• Molecular Formula: C26H36N6O3
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.28
• IUPAC Name: N-[(1R,4R)-1-carbamoyl-4-tricyclo[5.2.1.03,9]decanyl]-1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-5-morpholin-4-ylpyrazole-4-carboxamide
• SMILES: CC(C)(/C=C/n1ncc(C(=O)N[C@@H]2CCC3CC4C2C[C@]4(C(N)=O)C3)c1N1CCOCC1)CC#N
• InChI: InChI=1S/C26H36N6O3/c1-25(2,5-7-27)6-8-32-23(31-9-11-35-12-10-31)19(16-29-32)22(33)30-21-4-3-17-13-20-18(21)15-26(20,14-17)24(28)34/h6,8,16-18,20-21H,3-5,9-15H2,1-2H3,(H2,28,34)(H,30,33)/b8-6+/t17?,18?,20?,21-,26-/m1/s1
• InChIKey: DFRNFEXQKZIEBD-HCJYIXQASA-N
• XLogP: 2.54
• TPSA: 126.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R)-1-carbamoyl-4-tricyclo[5.2.1.03,9]decanyl]-1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-5-morpholin-4-ylpyrazole-4-carboxamide?

The IUPAC name of N-[(1R,4R)-1-carbamoyl-4-tricyclo[5.2.1.03,9]decanyl]-1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-5-morpholin-4-ylpyrazole-4-carboxamide (CID 70909399) is N-[(1R,4R)-1-carbamoyl-4-tricyclo[5.2.1.03,9]decanyl]-1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-5-morpholin-4-ylpyrazole-4-carboxamide.

What is the SMILES notation for N-[(1R,4R)-1-carbamoyl-4-tricyclo[5.2.1.03,9]decanyl]-1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-5-morpholin-4-ylpyrazole-4-carboxamide?

The canonical SMILES for N-[(1R,4R)-1-carbamoyl-4-tricyclo[5.2.1.03,9]decanyl]-1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-5-morpholin-4-ylpyrazole-4-carboxamide is CC(C)(/C=C/n1ncc(C(=O)N[C@@H]2CCC3CC4C2C[C@]4(C(N)=O)C3)c1N1CCOCC1)CC#N.

What is the InChIKey of N-[(1R,4R)-1-carbamoyl-4-tricyclo[5.2.1.03,9]decanyl]-1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-5-morpholin-4-ylpyrazole-4-carboxamide?

The InChIKey is DFRNFEXQKZIEBD-HCJYIXQASA-N. The full InChI is InChI=1S/C26H36N6O3/c1-25(2,5-7-27)6-8-32-23(31-9-11-35-12-10-31)19(16-29-32)22(33)30-21-4-3-17-13-20-18(21)15-26(20,14-17)24(28)34/h6,8,16-18,20-21H,3-5,9-15H2,1-2H3,(H2,28,34)(H,30,33)/b8-6+/t17?,18?,20?,21-,26-/m1/s1.

What are the key properties of N-[(1R,4R)-1-carbamoyl-4-tricyclo[5.2.1.03,9]decanyl]-1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-5-morpholin-4-ylpyrazole-4-carboxamide?

N-[(1R,4R)-1-carbamoyl-4-tricyclo[5.2.1.03,9]decanyl]-1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-5-morpholin-4-ylpyrazole-4-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,4R)-1-carbamoyl-4-tricyclo[5.2.1.03,9]decanyl]-1-[(E)-4-cyano-3,3-dimethylbut-1-enyl]-5-morpholin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 70909399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).