1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide

C23H21Cl3N4O2 — CID 169175708

About 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide

1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide (PubChem CID 169175708) has the molecular formula C23H21Cl3N4O2 and a molecular weight of 491.81 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide
• PubChem CID: 169175708
• Molecular Formula: C23H21Cl3N4O2
• Molecular Weight: 491.81 g/mol
• Exact Mass: 490.07
• IUPAC Name: 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide
• SMILES: Cc1c(C(=O)N2CCCC(C(N)=O)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
• InChI: InChI=1S/C23H21Cl3N4O2/c1-13-20(23(32)29-10-2-3-15(12-29)22(27)31)28-30(19-9-8-17(25)11-18(19)26)21(13)14-4-6-16(24)7-5-14/h4-9,11,15H,2-3,10,12H2,1H3,(H2,27,31)
• InChIKey: STMKQIMIUMLWDU-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 81.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.81
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide?

The IUPAC name of 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide (CID 169175708) is 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide is Cc1c(C(=O)N2CCCC(C(N)=O)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.

What is the InChIKey of 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide?

The InChIKey is STMKQIMIUMLWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N4O2/c1-13-20(23(32)29-10-2-3-15(12-29)22(27)31)28-30(19-9-8-17(25)11-18(19)26)21(13)14-4-6-16(24)7-5-14/h4-9,11,15H,2-3,10,12H2,1H3,(H2,27,31).

What are the key properties of 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide?

1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 491.81 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 169175708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).