[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate

C20H23N3O3S — CID 40765052

About [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate

[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate (PubChem CID 40765052) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate.

Molecular Properties

• Compound Name: [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate
• PubChem CID: 40765052
• Molecular Formula: C20H23N3O3S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.15
• IUPAC Name: [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate
• SMILES: Cc1nn(Cc2ccccc2)c2sc(C(=O)O[C@H](C)C(=O)NC(C)C)cc12
• InChI: InChI=1S/C20H23N3O3S/c1-12(2)21-18(24)14(4)26-20(25)17-10-16-13(3)22-23(19(16)27-17)11-15-8-6-5-7-9-15/h5-10,12,14H,11H2,1-4H3,(H,21,24)/t14-/m1/s1
• InChIKey: HGMWOUVGPXVZSY-CQSZACIVSA-N
• XLogP: 3.52
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate?

The IUPAC name of [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate (CID 40765052) is [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate.

What is the SMILES notation for [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate?

The canonical SMILES for [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate is Cc1nn(Cc2ccccc2)c2sc(C(=O)O[C@H](C)C(=O)NC(C)C)cc12.

What is the InChIKey of [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate?

The InChIKey is HGMWOUVGPXVZSY-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-12(2)21-18(24)14(4)26-20(25)17-10-16-13(3)22-23(19(16)27-17)11-15-8-6-5-7-9-15/h5-10,12,14H,11H2,1-4H3,(H,21,24)/t14-/m1/s1.

What are the key properties of [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate?

[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate has a molecular weight of 385.49 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxylate is sourced from PubChem (CID 40765052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).