1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide

C24H23Cl2N5O2 — CID 19346663

About 1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide

1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19346663) has the molecular formula C24H23Cl2N5O2 and a molecular weight of 484.39 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 19346663
• Molecular Formula: C24H23Cl2N5O2
• Molecular Weight: 484.39 g/mol
• Exact Mass: 483.12
• IUPAC Name: 1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
• SMILES: Cc1cccc(Cn2nc(C)c(NC(=O)c3ccn(COc4c(Cl)cccc4Cl)n3)c2C)c1
• InChI: InChI=1S/C24H23Cl2N5O2/c1-15-6-4-7-18(12-15)13-31-17(3)22(16(2)28-31)27-24(32)21-10-11-30(29-21)14-33-23-19(25)8-5-9-20(23)26/h4-12H,13-14H2,1-3H3,(H,27,32)
• InChIKey: AAAYRLFSATZFMS-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.39
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

The IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (CID 19346663) is 1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

The canonical SMILES for 1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is Cc1cccc(Cn2nc(C)c(NC(=O)c3ccn(COc4c(Cl)cccc4Cl)n3)c2C)c1.

What is the InChIKey of 1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

The InChIKey is AAAYRLFSATZFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O2/c1-15-6-4-7-18(12-15)13-31-17(3)22(16(2)28-31)27-24(32)21-10-11-30(29-21)14-33-23-19(25)8-5-9-20(23)26/h4-12H,13-14H2,1-3H3,(H,27,32).

What are the key properties of 1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 484.39 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19346663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).