1-(2,4-dichlorophenyl)-5-[5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

C24H24Cl2N4O2S — CID 25052995

About 1-(2,4-dichlorophenyl)-5-[5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

1-(2,4-dichlorophenyl)-5-[5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 25052995) has the molecular formula C24H24Cl2N4O2S and a molecular weight of 503.46 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-[5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,4-dichlorophenyl)-5-[5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
• PubChem CID: 25052995
• Molecular Formula: C24H24Cl2N4O2S
• Molecular Weight: 503.46 g/mol
• Exact Mass: 502.10
• IUPAC Name: 1-(2,4-dichlorophenyl)-5-[5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
• SMILES: COCC#Cc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)s1
• InChI: InChI=1S/C24H24Cl2N4O2S/c1-16-22(24(31)28-29-12-4-3-5-13-29)27-30(20-10-8-17(25)15-19(20)26)23(16)21-11-9-18(33-21)7-6-14-32-2/h8-11,15H,3-5,12-14H2,1-2H3,(H,28,31)
• InChIKey: GAGOJPYNDDUOKV-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.46
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-[5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?

The IUPAC name of 1-(2,4-dichlorophenyl)-5-[5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 25052995) is 1-(2,4-dichlorophenyl)-5-[5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.

What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-[5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?

The canonical SMILES for 1-(2,4-dichlorophenyl)-5-[5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is COCC#Cc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)s1.

What is the InChIKey of 1-(2,4-dichlorophenyl)-5-[5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?

The InChIKey is GAGOJPYNDDUOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O2S/c1-16-22(24(31)28-29-12-4-3-5-13-29)27-30(20-10-8-17(25)15-19(20)26)23(16)21-11-9-18(33-21)7-6-14-32-2/h8-11,15H,3-5,12-14H2,1-2H3,(H,28,31).

What are the key properties of 1-(2,4-dichlorophenyl)-5-[5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?

1-(2,4-dichlorophenyl)-5-[5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 503.46 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dichlorophenyl)-5-[5-(3-methoxyprop-1-ynyl)thiophen-2-yl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 25052995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).