1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide

C21H27N5O2 — CID 19278728

About 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide

1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 19278728) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
• PubChem CID: 19278728
• Molecular Formula: C21H27N5O2
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.22
• IUPAC Name: 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
• SMILES: CCn1cc(CN(C)C(=O)c2ccn(COc3ccc(C)cc3C)n2)c(C)n1
• InChI: InChI=1S/C21H27N5O2/c1-6-25-13-18(17(4)22-25)12-24(5)21(27)19-9-10-26(23-19)14-28-20-8-7-15(2)11-16(20)3/h7-11,13H,6,12,14H2,1-5H3
• InChIKey: KZLPMQINNVNGJW-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 65.18 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?

The IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide (CID 19278728) is 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide.

What is the SMILES notation for 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?

The canonical SMILES for 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide is CCn1cc(CN(C)C(=O)c2ccn(COc3ccc(C)cc3C)n2)c(C)n1.

What is the InChIKey of 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?

The InChIKey is KZLPMQINNVNGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-6-25-13-18(17(4)22-25)12-24(5)21(27)19-9-10-26(23-19)14-28-20-8-7-15(2)11-16(20)3/h7-11,13H,6,12,14H2,1-5H3.

What are the key properties of 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?

1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19278728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).