2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine

C21H32N6 — CID 109468924

About 2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine

2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine (PubChem CID 109468924) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine.

Molecular Properties

• Compound Name: 2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine
• PubChem CID: 109468924
• Molecular Formula: C21H32N6
• Molecular Weight: 368.53 g/mol
• Exact Mass: 368.27
• IUPAC Name: 2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine
• SMILES: CCN/C(=N\Cc1ccc(-n2nc(C)cc2C)nc1)NCC1(CC)CCC1
• InChI: InChI=1S/C21H32N6/c1-5-21(10-7-11-21)15-25-20(22-6-2)24-14-18-8-9-19(23-13-18)27-17(4)12-16(3)26-27/h8-9,12-13H,5-7,10-11,14-15H2,1-4H3,(H2,22,24,25)
• InChIKey: HBCGMBFPHYXIGB-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 67.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.53
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine?

The IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine (CID 109468924) is 2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine.

What is the SMILES notation for 2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine?

The canonical SMILES for 2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine is CCN/C(=N\Cc1ccc(-n2nc(C)cc2C)nc1)NCC1(CC)CCC1.

What is the InChIKey of 2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine?

The InChIKey is HBCGMBFPHYXIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6/c1-5-21(10-7-11-21)15-25-20(22-6-2)24-14-18-8-9-19(23-13-18)27-17(4)12-16(3)26-27/h8-9,12-13H,5-7,10-11,14-15H2,1-4H3,(H2,22,24,25).

What are the key properties of 2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine?

2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine has a molecular weight of 368.53 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine is sourced from PubChem (CID 109468924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).