3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C19H18N6O2S — CID 134704902

About 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 134704902) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
• PubChem CID: 134704902
• Molecular Formula: C19H18N6O2S
• Molecular Weight: 394.46 g/mol
• Exact Mass: 394.12
• IUPAC Name: 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
• SMILES: CNC(=O)Cn1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cn1
• InChI: InChI=1S/C19H18N6O2S/c1-12-15-8-16(28-19(15)25(23-12)14-6-4-3-5-7-14)18(27)22-13-9-21-24(10-13)11-17(26)20-2/h3-10H,11H2,1-2H3,(H,20,26)(H,22,27)
• InChIKey: GVRVCFFDBLNAHT-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 93.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.46
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?

The IUPAC name of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 134704902) is 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

What is the SMILES notation for 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?

The canonical SMILES for 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is CNC(=O)Cn1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cn1.

What is the InChIKey of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?

The InChIKey is GVRVCFFDBLNAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-12-15-8-16(28-19(15)25(23-12)14-6-4-3-5-7-14)18(27)22-13-9-21-24(10-13)11-17(26)20-2/h3-10H,11H2,1-2H3,(H,20,26)(H,22,27).

What are the key properties of 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?

3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 134704902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).