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

C23H21Cl2N5O3 — CID 19275470

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

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19275470) has the molecular formula C23H21Cl2N5O3 and a molecular weight of 486.36 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 19275470
• Molecular Formula: C23H21Cl2N5O3
• Molecular Weight: 486.36 g/mol
• Exact Mass: 485.10
• IUPAC Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
• SMILES: Cc1cc(OCn2ccc(C(=O)Nc3cnn(COc4cccc(Cl)c4)c3)n2)cc(C)c1Cl
• InChI: InChI=1S/C23H21Cl2N5O3/c1-15-8-20(9-16(2)22(15)25)33-13-29-7-6-21(28-29)23(31)27-18-11-26-30(12-18)14-32-19-5-3-4-17(24)10-19/h3-12H,13-14H2,1-2H3,(H,27,31)
• InChIKey: CNLJEMVKQMUWSF-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 83.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.36
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (CID 19275470) is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is Cc1cc(OCn2ccc(C(=O)Nc3cnn(COc4cccc(Cl)c4)c3)n2)cc(C)c1Cl.

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

The InChIKey is CNLJEMVKQMUWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O3/c1-15-8-20(9-16(2)22(15)25)33-13-29-7-6-21(28-29)23(31)27-18-11-26-30(12-18)14-32-19-5-3-4-17(24)10-19/h3-12H,13-14H2,1-2H3,(H,27,31).

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

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 486.36 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19275470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).