methyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C15H20N4O4 — CID 95135348

IUPACmethyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)[C@@H](C)N1CCCC1=O)C2
InChIInChI=1S/C15H20N4O4/c1-10(18-5-3-4-13(18)20)14(21)17-6-7-19-11(9-17)8-12(16-19)15(22)23-2/h8,10H,3-7,9H2,1-2H3/t10-/m1/s1
InChIKeyXEPLADIBXDVYEP-SNVBAGLBSA-N
MW320.35 g/mol
LogP0.02
Rot. Bonds3

About methyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 95135348) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID95135348
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Namemethyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)[C@@H](C)N1CCCC1=O)C2
InChIInChI=1S/C15H20N4O4/c1-10(18-5-3-4-13(18)20)14(21)17-6-7-19-11(9-17)8-12(16-19)15(22)23-2/h8,10H,3-7,9H2,1-2H3/t10-/m1/s1
InChIKeyXEPLADIBXDVYEP-SNVBAGLBSA-N
XLogP0.02
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 95135348) is methyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CCN(C(=O)[C@@H](C)N1CCCC1=O)C2.
What is the InChIKey of methyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is XEPLADIBXDVYEP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-10(18-5-3-4-13(18)20)14(21)17-6-7-19-11(9-17)8-12(16-19)15(22)23-2/h8,10H,3-7,9H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 95135348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).