tert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C16H23N5O4 — CID 146573483

IUPACtert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2nc(NC3CCC(=O)NC3=O)cc2C1
InChIInChI=1S/C16H23N5O4/c1-16(2,3)25-15(24)20-6-7-21-10(9-20)8-12(19-21)17-11-4-5-13(22)18-14(11)23/h8,11H,4-7,9H2,1-3H3,(H,17,19)(H,18,22,23)
InChIKeyNCUIZRKALRGMCR-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.85
Rot. Bonds2

About tert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 146573483) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is tert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID146573483
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Nametert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2nc(NC3CCC(=O)NC3=O)cc2C1
InChIInChI=1S/C16H23N5O4/c1-16(2,3)25-15(24)20-6-7-21-10(9-20)8-12(19-21)17-11-4-5-13(22)18-14(11)23/h8,11H,4-7,9H2,1-3H3,(H,17,19)(H,18,22,23)
InChIKeyNCUIZRKALRGMCR-UHFFFAOYSA-N
XLogP0.85
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 146573483) is tert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)N1CCn2nc(NC3CCC(=O)NC3=O)cc2C1.
What is the InChIKey of tert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is NCUIZRKALRGMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-16(2,3)25-15(24)20-6-7-21-10(9-20)8-12(19-21)17-11-4-5-13(22)18-14(11)23/h8,11H,4-7,9H2,1-3H3,(H,17,19)(H,18,22,23).
What are the key properties of tert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2,6-dioxopiperidin-3-yl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 146573483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).