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

C23H20Cl2FN5O2 — CID 19405876

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

1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19405876) has the molecular formula C23H20Cl2FN5O2 and a molecular weight of 488.35 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 19405876
• Molecular Formula: C23H20Cl2FN5O2
• Molecular Weight: 488.35 g/mol
• Exact Mass: 487.10
• IUPAC Name: 1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
• SMILES: Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1ccn(COc2ccc(Cl)cc2Cl)n1
• InChI: InChI=1S/C23H20Cl2FN5O2/c1-14-22(15(2)31(28-14)12-16-4-3-5-18(26)10-16)27-23(32)20-8-9-30(29-20)13-33-21-7-6-17(24)11-19(21)25/h3-11H,12-13H2,1-2H3,(H,27,32)
• InChIKey: ISTOSCAJDHWJRG-UHFFFAOYSA-N
• XLogP: 5.48
• 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	488.35
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide (CID 19405876) is 1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide is Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1ccn(COc2ccc(Cl)cc2Cl)n1.

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

The InChIKey is ISTOSCAJDHWJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2FN5O2/c1-14-22(15(2)31(28-14)12-16-4-3-5-18(26)10-16)27-23(32)20-8-9-30(29-20)13-33-21-7-6-17(24)11-19(21)25/h3-11H,12-13H2,1-2H3,(H,27,32).

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

1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 488.35 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19405876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).