methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C15H19N5O5 — CID 50972710

IUPACmethyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)CN1C(=O)NC(=O)C1(C)C)C2
InChIInChI=1S/C15H19N5O5/c1-15(2)13(23)16-14(24)19(15)8-11(21)18-4-5-20-9(7-18)6-10(17-20)12(22)25-3/h6H,4-5,7-8H2,1-3H3,(H,16,23,24)
InChIKeySHAUPQKKADIDKH-UHFFFAOYSA-N
MW349.35 g/mol
LogP-0.66
Rot. Bonds3

About methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 50972710) has the molecular formula C15H19N5O5 and a molecular weight of 349.35 g/mol. Its IUPAC name is methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID50972710
Molecular FormulaC15H19N5O5
Molecular Weight349.35 g/mol
Exact Mass349.14
IUPAC Namemethyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)CN1C(=O)NC(=O)C1(C)C)C2
InChIInChI=1S/C15H19N5O5/c1-15(2)13(23)16-14(24)19(15)8-11(21)18-4-5-20-9(7-18)6-10(17-20)12(22)25-3/h6H,4-5,7-8H2,1-3H3,(H,16,23,24)
InChIKeySHAUPQKKADIDKH-UHFFFAOYSA-N
XLogP-0.66
TPSA113.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 50972710) is methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CCN(C(=O)CN1C(=O)NC(=O)C1(C)C)C2.
What is the InChIKey of methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is SHAUPQKKADIDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O5/c1-15(2)13(23)16-14(24)19(15)8-11(21)18-4-5-20-9(7-18)6-10(17-20)12(22)25-3/h6H,4-5,7-8H2,1-3H3,(H,16,23,24).
What are the key properties of methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 349.35 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 50972710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).