1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide

C25H27N5O3 — CID 19272973

About 1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide

1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19272973) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 19272973
• Molecular Formula: C25H27N5O3
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.21
• IUPAC Name: 1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
• SMILES: CCc1ccc(OCn2cc(NC(=O)c3ccn(COc4cc(C)ccc4C)n3)cn2)cc1
• InChI: InChI=1S/C25H27N5O3/c1-4-20-7-9-22(10-8-20)32-17-30-15-21(14-26-30)27-25(31)23-11-12-29(28-23)16-33-24-13-18(2)5-6-19(24)3/h5-15H,4,16-17H2,1-3H3,(H,27,31)
• InChIKey: ZQLZUSGOIBSHCU-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 83.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

The IUPAC name of 1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (CID 19272973) is 1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

The canonical SMILES for 1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is CCc1ccc(OCn2cc(NC(=O)c3ccn(COc4cc(C)ccc4C)n3)cn2)cc1.

What is the InChIKey of 1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

The InChIKey is ZQLZUSGOIBSHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-4-20-7-9-22(10-8-20)32-17-30-15-21(14-26-30)27-25(31)23-11-12-29(28-23)16-33-24-13-18(2)5-6-19(24)3/h5-15H,4,16-17H2,1-3H3,(H,27,31).

What are the key properties of 1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19272973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).