1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide

C15H18BrN7O — CID 19264280

About 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide

1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19264280) has the molecular formula C15H18BrN7O and a molecular weight of 392.26 g/mol. Its IUPAC name is 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
• PubChem CID: 19264280
• Molecular Formula: C15H18BrN7O
• Molecular Weight: 392.26 g/mol
• Exact Mass: 391.08
• IUPAC Name: 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
• SMILES: Cc1nn(Cn2ccc(C(=O)NCc3ccnn3C)n2)c(C)c1Br
• InChI: InChI=1S/C15H18BrN7O/c1-10-14(16)11(2)23(19-10)9-22-7-5-13(20-22)15(24)17-8-12-4-6-18-21(12)3/h4-7H,8-9H2,1-3H3,(H,17,24)
• InChIKey: NMSIZBHGUICQSE-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 82.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.26
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?

The IUPAC name of 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (CID 19264280) is 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?

The canonical SMILES for 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is Cc1nn(Cn2ccc(C(=O)NCc3ccnn3C)n2)c(C)c1Br.

What is the InChIKey of 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?

The InChIKey is NMSIZBHGUICQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN7O/c1-10-14(16)11(2)23(19-10)9-22-7-5-13(20-22)15(24)17-8-12-4-6-18-21(12)3/h4-7H,8-9H2,1-3H3,(H,17,24).

What are the key properties of 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?

1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 392.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19264280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).