N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

C24H32N4OS — CID 7271222

About N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 7271222) has the molecular formula C24H32N4OS and a molecular weight of 424.61 g/mol. Its IUPAC name is N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
• PubChem CID: 7271222
• Molecular Formula: C24H32N4OS
• Molecular Weight: 424.61 g/mol
• Exact Mass: 424.23
• IUPAC Name: N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
• SMILES: CCN(CC)CCC[C@H](C)NC(=O)c1cc(-c2cccs2)nn1-c1cccc(C)c1
• InChI: InChI=1S/C24H32N4OS/c1-5-27(6-2)14-8-11-19(4)25-24(29)22-17-21(23-13-9-15-30-23)26-28(22)20-12-7-10-18(3)16-20/h7,9-10,12-13,15-17,19H,5-6,8,11,14H2,1-4H3,(H,25,29)/t19-/m0/s1
• InChIKey: CZESZNFIHPOZCB-IBGZPJMESA-N
• XLogP: 5.15
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.61
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?

The IUPAC name of N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (CID 7271222) is N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.

What is the SMILES notation for N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?

The canonical SMILES for N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is CCN(CC)CCC[C@H](C)NC(=O)c1cc(-c2cccs2)nn1-c1cccc(C)c1.

What is the InChIKey of N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?

The InChIKey is CZESZNFIHPOZCB-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N4OS/c1-5-27(6-2)14-8-11-19(4)25-24(29)22-17-21(23-13-9-15-30-23)26-28(22)20-12-7-10-18(3)16-20/h7,9-10,12-13,15-17,19H,5-6,8,11,14H2,1-4H3,(H,25,29)/t19-/m0/s1.

What are the key properties of N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?

N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 424.61 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 7271222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).