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

C23H20Cl3N5O2 — CID 19275095

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

N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19275095) has the molecular formula C23H20Cl3N5O2 and a molecular weight of 504.81 g/mol. Its IUPAC name is N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide
• PubChem CID: 19275095
• Molecular Formula: C23H20Cl3N5O2
• Molecular Weight: 504.81 g/mol
• Exact Mass: 503.07
• IUPAC Name: N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide
• SMILES: Cc1ccc(OCn2ccc(C(=O)Nc3nn(Cc4ccc(Cl)cc4Cl)cc3Cl)n2)c(C)c1
• InChI: InChI=1S/C23H20Cl3N5O2/c1-14-3-6-21(15(2)9-14)33-13-30-8-7-20(28-30)23(32)27-22-19(26)12-31(29-22)11-16-4-5-17(24)10-18(16)25/h3-10,12H,11,13H2,1-2H3,(H,27,29,32)
• InChIKey: JXJBBOMPYNWLFD-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.81
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide (CID 19275095) is N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide.

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

The canonical SMILES for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide is Cc1ccc(OCn2ccc(C(=O)Nc3nn(Cc4ccc(Cl)cc4Cl)cc3Cl)n2)c(C)c1.

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

The InChIKey is JXJBBOMPYNWLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl3N5O2/c1-14-3-6-21(15(2)9-14)33-13-30-8-7-20(28-30)23(32)27-22-19(26)12-31(29-22)11-16-4-5-17(24)10-18(16)25/h3-10,12H,11,13H2,1-2H3,(H,27,29,32).

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

N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 504.81 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19275095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).