N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine

C₁₁H₁₇N₅ — CID 103859234

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine (PubChem CID 103859234) has the molecular formula C₁₁H₁₇N₅ and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine.

Molecular Properties

• Compound Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine
• PubChem CID: 103859234
• Molecular Formula: C₁₁H₁₇N₅
• Molecular Weight: 219.29 g/mol
• Exact Mass: 219.15
• IUPAC Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine
• SMILES: Cc1ncc(CNCc2cnn(C)c2C)[nH]1
• InChI: InChI=1S/C11H17N5/c1-8-10(5-14-16(8)3)4-12-6-11-7-13-9(2)15-11/h5,7,12H,4,6H2,1-3H3,(H,13,15)
• InChIKey: FXMHFZVOAQMBBP-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 58.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	219.29
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine?

The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine (CID 103859234) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine.

What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine?

The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine is Cc1ncc(CNCc2cnn(C)c2C)[nH]1.

What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine?

The InChIKey is FXMHFZVOAQMBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8-10(5-14-16(8)3)4-12-6-11-7-13-9(2)15-11/h5,7,12H,4,6H2,1-3H3,(H,13,15).

What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine?

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine has a molecular weight of 219.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine is sourced from PubChem (CID 103859234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103859234 — identifiers, structure, computed properties (public domain)

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