[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate

C17H24N4O5 — CID 154616464

IUPAC[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESCC(C)(C)n1nc([C@H]2CC[C@@H](OC(=O)ON3C(=O)CCC3=O)C2)cc1N
InChIInChI=1S/C17H24N4O5/c1-17(2,3)21-13(18)9-12(19-21)10-4-5-11(8-10)25-16(24)26-20-14(22)6-7-15(20)23/h9-11H,4-8,18H2,1-3H3/t10-,11+/m0/s1
InChIKeyKYPQNSQMVZTQRO-WDEREUQCSA-N
MW364.40 g/mol
LogP2.07
Rot. Bonds3

About [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate

[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate (PubChem CID 154616464) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate.

Molecular Properties

Compound Name[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate
PubChem CID154616464
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESCC(C)(C)n1nc([C@H]2CC[C@@H](OC(=O)ON3C(=O)CCC3=O)C2)cc1N
InChIInChI=1S/C17H24N4O5/c1-17(2,3)21-13(18)9-12(19-21)10-4-5-11(8-10)25-16(24)26-20-14(22)6-7-15(20)23/h9-11H,4-8,18H2,1-3H3/t10-,11+/m0/s1
InChIKeyKYPQNSQMVZTQRO-WDEREUQCSA-N
XLogP2.07
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate?
The IUPAC name of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate (CID 154616464) is [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate.
What is the SMILES notation for [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate?
The canonical SMILES for [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate is CC(C)(C)n1nc([C@H]2CC[C@@H](OC(=O)ON3C(=O)CCC3=O)C2)cc1N.
What is the InChIKey of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate?
The InChIKey is KYPQNSQMVZTQRO-WDEREUQCSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-17(2,3)21-13(18)9-12(19-21)10-4-5-11(8-10)25-16(24)26-20-14(22)6-7-15(20)23/h9-11H,4-8,18H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate?
[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate has a molecular weight of 364.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl] (2,5-dioxopyrrolidin-1-yl) carbonate is sourced from PubChem (CID 154616464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).