[(2S)-1-(dimethylamino)-4-methylpentan-2-yl] 3-(cyclobutanecarbonylamino)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate

C21H35N5O3 — CID 58015695

About [(2S)-1-(dimethylamino)-4-methylpentan-2-yl] 3-(cyclobutanecarbonylamino)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate

[(2S)-1-(dimethylamino)-4-methylpentan-2-yl] 3-(cyclobutanecarbonylamino)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate (PubChem CID 58015695) has the molecular formula C21H35N5O3 and a molecular weight of 405.54 g/mol. Its IUPAC name is [(2S)-1-(dimethylamino)-4-methylpentan-2-yl] 3-(cyclobutanecarbonylamino)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate.

Molecular Properties

• Compound Name: [(2S)-1-(dimethylamino)-4-methylpentan-2-yl] 3-(cyclobutanecarbonylamino)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
• PubChem CID: 58015695
• Molecular Formula: C21H35N5O3
• Molecular Weight: 405.54 g/mol
• Exact Mass: 405.27
• IUPAC Name: [(2S)-1-(dimethylamino)-4-methylpentan-2-yl] 3-(cyclobutanecarbonylamino)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
• SMILES: CC(C)C[C@@H](CN(C)C)OC(=O)N1Cc2c(NC(=O)C3CCC3)n[nH]c2C1(C)C
• InChI: InChI=1S/C21H35N5O3/c1-13(2)10-15(11-25(5)6)29-20(28)26-12-16-17(21(26,3)4)23-24-18(16)22-19(27)14-8-7-9-14/h13-15H,7-12H2,1-6H3,(H2,22,23,24,27)/t15-/m0/s1
• InChIKey: QFGLHAXRZQJPRO-HNNXBMFYSA-N
• XLogP: 3.31
• TPSA: 90.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.54
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(dimethylamino)-4-methylpentan-2-yl] 3-(cyclobutanecarbonylamino)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?

The IUPAC name of [(2S)-1-(dimethylamino)-4-methylpentan-2-yl] 3-(cyclobutanecarbonylamino)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate (CID 58015695) is [(2S)-1-(dimethylamino)-4-methylpentan-2-yl] 3-(cyclobutanecarbonylamino)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate.

What is the SMILES notation for [(2S)-1-(dimethylamino)-4-methylpentan-2-yl] 3-(cyclobutanecarbonylamino)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?

The canonical SMILES for [(2S)-1-(dimethylamino)-4-methylpentan-2-yl] 3-(cyclobutanecarbonylamino)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate is CC(C)C[C@@H](CN(C)C)OC(=O)N1Cc2c(NC(=O)C3CCC3)n[nH]c2C1(C)C.

What is the InChIKey of [(2S)-1-(dimethylamino)-4-methylpentan-2-yl] 3-(cyclobutanecarbonylamino)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?

The InChIKey is QFGLHAXRZQJPRO-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H35N5O3/c1-13(2)10-15(11-25(5)6)29-20(28)26-12-16-17(21(26,3)4)23-24-18(16)22-19(27)14-8-7-9-14/h13-15H,7-12H2,1-6H3,(H2,22,23,24,27)/t15-/m0/s1.

What are the key properties of [(2S)-1-(dimethylamino)-4-methylpentan-2-yl] 3-(cyclobutanecarbonylamino)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate?

[(2S)-1-(dimethylamino)-4-methylpentan-2-yl] 3-(cyclobutanecarbonylamino)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate has a molecular weight of 405.54 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-(dimethylamino)-4-methylpentan-2-yl] 3-(cyclobutanecarbonylamino)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate is sourced from PubChem (CID 58015695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).