tert-butyl (6S)-3-[4-(3-methoxycarbonylphenyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C24H30N4O5 — CID 134179010

About tert-butyl (6S)-3-[4-(3-methoxycarbonylphenyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl (6S)-3-[4-(3-methoxycarbonylphenyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 134179010) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is tert-butyl (6S)-3-[4-(3-methoxycarbonylphenyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (6S)-3-[4-(3-methoxycarbonylphenyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
• PubChem CID: 134179010
• Molecular Formula: C24H30N4O5
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.22
• IUPAC Name: tert-butyl (6S)-3-[4-(3-methoxycarbonylphenyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
• SMILES: COC(=O)c1cccc(C2CC(=O)N(c3cnn4c3CN(C(=O)OC(C)(C)C)[C@@H](C)C4)C2)c1
• InChI: InChI=1S/C24H30N4O5/c1-15-12-28-20(14-26(15)23(31)33-24(2,3)4)19(11-25-28)27-13-18(10-21(27)29)16-7-6-8-17(9-16)22(30)32-5/h6-9,11,15,18H,10,12-14H2,1-5H3/t15-,18?/m0/s1
• InChIKey: HMBQYHCWARDBKU-BUSXIPJBSA-N
• XLogP: 3.33
• TPSA: 93.97 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-3-[4-(3-methoxycarbonylphenyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

The IUPAC name of tert-butyl (6S)-3-[4-(3-methoxycarbonylphenyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 134179010) is tert-butyl (6S)-3-[4-(3-methoxycarbonylphenyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

What is the SMILES notation for tert-butyl (6S)-3-[4-(3-methoxycarbonylphenyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

The canonical SMILES for tert-butyl (6S)-3-[4-(3-methoxycarbonylphenyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is COC(=O)c1cccc(C2CC(=O)N(c3cnn4c3CN(C(=O)OC(C)(C)C)[C@@H](C)C4)C2)c1.

What is the InChIKey of tert-butyl (6S)-3-[4-(3-methoxycarbonylphenyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

The InChIKey is HMBQYHCWARDBKU-BUSXIPJBSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-15-12-28-20(14-26(15)23(31)33-24(2,3)4)19(11-25-28)27-13-18(10-21(27)29)16-7-6-8-17(9-16)22(30)32-5/h6-9,11,15,18H,10,12-14H2,1-5H3/t15-,18?/m0/s1.

What are the key properties of tert-butyl (6S)-3-[4-(3-methoxycarbonylphenyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

tert-butyl (6S)-3-[4-(3-methoxycarbonylphenyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 454.53 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (6S)-3-[4-(3-methoxycarbonylphenyl)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 134179010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).