methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C17H28N4O3 — CID 50971369

IUPACmethyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(CC(C)(C)CN1CCOCC1)C2
InChIInChI=1S/C17H28N4O3/c1-17(2,12-19-6-8-24-9-7-19)13-20-4-5-21-14(11-20)10-15(18-21)16(22)23-3/h10H,4-9,11-13H2,1-3H3
InChIKeyMYWQMVJEQXPOEX-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.84
Rot. Bonds5

About methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 50971369) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID50971369
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Namemethyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(CC(C)(C)CN1CCOCC1)C2
InChIInChI=1S/C17H28N4O3/c1-17(2,12-19-6-8-24-9-7-19)13-20-4-5-21-14(11-20)10-15(18-21)16(22)23-3/h10H,4-9,11-13H2,1-3H3
InChIKeyMYWQMVJEQXPOEX-UHFFFAOYSA-N
XLogP0.84
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 50971369) is methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CCN(CC(C)(C)CN1CCOCC1)C2.
What is the InChIKey of methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is MYWQMVJEQXPOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-17(2,12-19-6-8-24-9-7-19)13-20-4-5-21-14(11-20)10-15(18-21)16(22)23-3/h10H,4-9,11-13H2,1-3H3.
What are the key properties of methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 50971369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).