N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide

C20H29N5O2 — CID 11922761

About N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide

N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 11922761) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide
• PubChem CID: 11922761
• Molecular Formula: C20H29N5O2
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.23
• IUPAC Name: N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide
• SMILES: Cc1nn(C)c(C)c1C(=O)N(CCN1CCNC1=O)C[C@H]1C[C@@H]2C=C[C@H]1C2
• InChI: InChI=1S/C20H29N5O2/c1-13-18(14(2)23(3)22-13)19(26)25(9-8-24-7-6-21-20(24)27)12-17-11-15-4-5-16(17)10-15/h4-5,15-17H,6-12H2,1-3H3,(H,21,27)/t15-,16+,17-/m1/s1
• InChIKey: LJIJONLOWZMBGL-IXDOHACOSA-N
• XLogP: 1.72
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide?

The IUPAC name of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide (CID 11922761) is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N(CCN1CCNC1=O)C[C@H]1C[C@@H]2C=C[C@H]1C2.

What is the InChIKey of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide?

The InChIKey is LJIJONLOWZMBGL-IXDOHACOSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-13-18(14(2)23(3)22-13)19(26)25(9-8-24-7-6-21-20(24)27)12-17-11-15-4-5-16(17)10-15/h4-5,15-17H,6-12H2,1-3H3,(H,21,27)/t15-,16+,17-/m1/s1.

What are the key properties of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide?

N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3,5-trimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 11922761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).