1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide

C24H25N5O2 — CID 19276281

About 1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide

1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide (PubChem CID 19276281) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
• PubChem CID: 19276281
• Molecular Formula: C24H25N5O2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.20
• IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
• SMILES: Cc1cccc(Cn2ccc(NC(=O)c3ccn(COc4cc(C)cc(C)c4)n3)n2)c1
• InChI: InChI=1S/C24H25N5O2/c1-17-5-4-6-20(12-17)15-28-10-8-23(27-28)25-24(30)22-7-9-29(26-22)16-31-21-13-18(2)11-19(3)14-21/h4-14H,15-16H2,1-3H3,(H,25,27,30)
• InChIKey: ROAXDWVWMCPVCL-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?

The IUPAC name of 1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide (CID 19276281) is 1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?

The canonical SMILES for 1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide is Cc1cccc(Cn2ccc(NC(=O)c3ccn(COc4cc(C)cc(C)c4)n3)n2)c1.

What is the InChIKey of 1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?

The InChIKey is ROAXDWVWMCPVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17-5-4-6-20(12-17)15-28-10-8-23(27-28)25-24(30)22-7-9-29(26-22)16-31-21-13-18(2)11-19(3)14-21/h4-14H,15-16H2,1-3H3,(H,25,27,30).

What are the key properties of 1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?

1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19276281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).