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

C23H19Cl4N5O2 — CID 19269534

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

1-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19269534) has the molecular formula C23H19Cl4N5O2 and a molecular weight of 539.25 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 19269534
• Molecular Formula: C23H19Cl4N5O2
• Molecular Weight: 539.25 g/mol
• Exact Mass: 537.03
• IUPAC Name: 1-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
• SMILES: Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccn(COc2cccc(Cl)c2Cl)n1
• InChI: InChI=1S/C23H19Cl4N5O2/c1-13-22(14(2)32(29-13)11-15-6-7-16(24)10-18(15)26)28-23(33)19-8-9-31(30-19)12-34-20-5-3-4-17(25)21(20)27/h3-10H,11-12H2,1-2H3,(H,28,33)
• InChIKey: WAVBNJDZXCWKDM-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.25
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide (CID 19269534) is 1-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide is Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccn(COc2cccc(Cl)c2Cl)n1.

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

The InChIKey is WAVBNJDZXCWKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl4N5O2/c1-13-22(14(2)32(29-13)11-15-6-7-16(24)10-18(15)26)28-23(33)19-8-9-31(30-19)12-34-20-5-3-4-17(25)21(20)27/h3-10H,11-12H2,1-2H3,(H,28,33).

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

1-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 539.25 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19269534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).