3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide

C26H20N6O2S2 — CID 3226614

About 3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide

3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide (PubChem CID 3226614) has the molecular formula C26H20N6O2S2 and a molecular weight of 512.62 g/mol. Its IUPAC name is 3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide.

Molecular Properties

• Compound Name: 3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
• PubChem CID: 3226614
• Molecular Formula: C26H20N6O2S2
• Molecular Weight: 512.62 g/mol
• Exact Mass: 512.11
• IUPAC Name: 3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
• SMILES: Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)cc12
• InChI: InChI=1S/C26H20N6O2S2/c1-15-19-13-21(35-25(19)31(29-15)17-9-5-3-6-10-17)23(33)27-28-24(34)22-14-20-16(2)30-32(26(20)36-22)18-11-7-4-8-12-18/h3-14H,1-2H3,(H,27,33)(H,28,34)
• InChIKey: GTXPUGPXNNCESM-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 93.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.62
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?

The IUPAC name of 3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide (CID 3226614) is 3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide.

What is the SMILES notation for 3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?

The canonical SMILES for 3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide is Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)cc12.

What is the InChIKey of 3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?

The InChIKey is GTXPUGPXNNCESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O2S2/c1-15-19-13-21(35-25(19)31(29-15)17-9-5-3-6-10-17)23(33)27-28-24(34)22-14-20-16(2)30-32(26(20)36-22)18-11-7-4-8-12-18/h3-14H,1-2H3,(H,27,33)(H,28,34).

What are the key properties of 3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?

3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide has a molecular weight of 512.62 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide is sourced from PubChem (CID 3226614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).