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

C17H27N5O3 — CID 134182614

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

tert-butyl (6S)-6-methyl-3-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 134182614) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is tert-butyl (6S)-6-methyl-3-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (6S)-6-methyl-3-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
• PubChem CID: 134182614
• Molecular Formula: C17H27N5O3
• Molecular Weight: 349.44 g/mol
• Exact Mass: 349.21
• IUPAC Name: tert-butyl (6S)-6-methyl-3-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
• SMILES: C[C@H]1Cn2ncc(NCC3CCC(=O)N3)c2CN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C17H27N5O3/c1-11-9-22-14(10-21(11)16(24)25-17(2,3)4)13(8-19-22)18-7-12-5-6-15(23)20-12/h8,11-12,18H,5-7,9-10H2,1-4H3,(H,20,23)/t11-,12?/m0/s1
• InChIKey: XLEOEUYWFHOFJM-PXYINDEMSA-N
• XLogP: 1.71
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.44
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of tert-butyl (6S)-6-methyl-3-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 134182614) is tert-butyl (6S)-6-methyl-3-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

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

The canonical SMILES for tert-butyl (6S)-6-methyl-3-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is C[C@H]1Cn2ncc(NCC3CCC(=O)N3)c2CN1C(=O)OC(C)(C)C.

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

The InChIKey is XLEOEUYWFHOFJM-PXYINDEMSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-11-9-22-14(10-21(11)16(24)25-17(2,3)4)13(8-19-22)18-7-12-5-6-15(23)20-12/h8,11-12,18H,5-7,9-10H2,1-4H3,(H,20,23)/t11-,12?/m0/s1.

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

tert-butyl (6S)-6-methyl-3-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 349.44 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (6S)-6-methyl-3-[(5-oxopyrrolidin-2-yl)methylamino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 134182614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).