N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide

C20H27N5O — CID 11922788

About N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide

N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 11922788) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
• PubChem CID: 11922788
• Molecular Formula: C20H27N5O
• Molecular Weight: 353.47 g/mol
• Exact Mass: 353.22
• IUPAC Name: N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
• SMILES: Cc1cc(CN(C[C@H]2C[C@@H]3C=C[C@H]2C3)C(=O)c2cc(C)n(C)n2)nn1C
• InChI: InChI=1S/C20H27N5O/c1-13-7-18(21-23(13)3)12-25(11-17-10-15-5-6-16(17)9-15)20(26)19-8-14(2)24(4)22-19/h5-8,15-17H,9-12H2,1-4H3/t15-,16+,17-/m1/s1
• InChIKey: SGRGBFZILHQAIO-IXDOHACOSA-N
• XLogP: 2.63
• TPSA: 55.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.47
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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]-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide?

The IUPAC name of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide (CID 11922788) is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide.

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

The canonical SMILES for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(CN(C[C@H]2C[C@@H]3C=C[C@H]2C3)C(=O)c2cc(C)n(C)n2)nn1C.

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

The InChIKey is SGRGBFZILHQAIO-IXDOHACOSA-N. The full InChI is InChI=1S/C20H27N5O/c1-13-7-18(21-23(13)3)12-25(11-17-10-15-5-6-16(17)9-15)20(26)19-8-14(2)24(4)22-19/h5-8,15-17H,9-12H2,1-4H3/t15-,16+,17-/m1/s1.

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

N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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]-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 11922788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).