5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide

C24H23Cl3N4O2 — CID 67158956

About 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide

5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide (PubChem CID 67158956) has the molecular formula C24H23Cl3N4O2 and a molecular weight of 505.83 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
• PubChem CID: 67158956
• Molecular Formula: C24H23Cl3N4O2
• Molecular Weight: 505.83 g/mol
• Exact Mass: 504.09
• IUPAC Name: 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
• SMILES: CC(=Cc1ccc(Cl)cc1)c1c(C)c(C(=O)NN2CCOCC2)nn1-c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C24H23Cl3N4O2/c1-15(13-17-3-5-18(25)6-4-17)23-16(2)22(24(32)29-30-9-11-33-12-10-30)28-31(23)21-8-7-19(26)14-20(21)27/h3-8,13-14H,9-12H2,1-2H3,(H,29,32)
• InChIKey: TWRDDXISTMHJEJ-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.83
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?

The IUPAC name of 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide (CID 67158956) is 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide.

What is the SMILES notation for 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?

The canonical SMILES for 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide is CC(=Cc1ccc(Cl)cc1)c1c(C)c(C(=O)NN2CCOCC2)nn1-c1ccc(Cl)cc1Cl.

What is the InChIKey of 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?

The InChIKey is TWRDDXISTMHJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl3N4O2/c1-15(13-17-3-5-18(25)6-4-17)23-16(2)22(24(32)29-30-9-11-33-12-10-30)28-31(23)21-8-7-19(26)14-20(21)27/h3-8,13-14H,9-12H2,1-2H3,(H,29,32).

What are the key properties of 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?

5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide has a molecular weight of 505.83 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 67158956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).