5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide

C21H26N4O3 — CID 153297978

About 5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide

5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide (PubChem CID 153297978) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide
• PubChem CID: 153297978
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: 5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide
• SMILES: CC[C@@H](c1ccccc1)n1nc(C(=O)NC)cc1C(=O)NC1[C@H]2CC(O)C[C@@H]12
• InChI: InChI=1S/C21H26N4O3/c1-3-17(12-7-5-4-6-8-12)25-18(11-16(24-25)20(27)22-2)21(28)23-19-14-9-13(26)10-15(14)19/h4-8,11,13-15,17,19,26H,3,9-10H2,1-2H3,(H,22,27)(H,23,28)/t13?,14-,15+,17-,19?/m0/s1
• InChIKey: IJYJMCWPKOTBOP-BVYYSILGSA-N
• XLogP: 1.74
• TPSA: 96.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide?

The IUPAC name of 5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide (CID 153297978) is 5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide.

What is the SMILES notation for 5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide?

The canonical SMILES for 5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide is CC[C@@H](c1ccccc1)n1nc(C(=O)NC)cc1C(=O)NC1[C@H]2CC(O)C[C@@H]12.

What is the InChIKey of 5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide?

The InChIKey is IJYJMCWPKOTBOP-BVYYSILGSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-17(12-7-5-4-6-8-12)25-18(11-16(24-25)20(27)22-2)21(28)23-19-14-9-13(26)10-15(14)19/h4-8,11,13-15,17,19,26H,3,9-10H2,1-2H3,(H,22,27)(H,23,28)/t13?,14-,15+,17-,19?/m0/s1.

What are the key properties of 5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide?

5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide has a molecular weight of 382.46 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[(1R,5S)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-N-methyl-1-[(1S)-1-phenylpropyl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 153297978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).