N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide

C19H24N5O2S+ — CID 7685350

About N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide

N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide (PubChem CID 7685350) has the molecular formula C19H24N5O2S+ and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide.

Molecular Properties

• Compound Name: N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide
• PubChem CID: 7685350
• Molecular Formula: C19H24N5O2S+
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.16
• IUPAC Name: N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide
• SMILES: Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)N1CC[NH+](C)CC1)CSC2
• InChI: InChI=1S/C19H23N5O2S/c1-13-5-3-4-6-16(13)24-17(14-11-27-12-15(14)21-24)20-18(25)19(26)23-9-7-22(2)8-10-23/h3-6H,7-12H2,1-2H3,(H,20,25)/p+1
• InChIKey: PRQNFSKDDDUMKS-UHFFFAOYSA-O
• XLogP: 0.22
• TPSA: 71.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide?

The IUPAC name of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide (CID 7685350) is N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide.

What is the SMILES notation for N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide?

The canonical SMILES for N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide is Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)N1CC[NH+](C)CC1)CSC2.

What is the InChIKey of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide?

The InChIKey is PRQNFSKDDDUMKS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N5O2S/c1-13-5-3-4-6-16(13)24-17(14-11-27-12-15(14)21-24)20-18(25)19(26)23-9-7-22(2)8-10-23/h3-6H,7-12H2,1-2H3,(H,20,25)/p+1.

What are the key properties of N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide?

N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide has a molecular weight of 386.50 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide is sourced from PubChem (CID 7685350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).