methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate

C13H18N4O3 — CID 104733378

IUPACmethyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
SMILESCOC(=O)C(CO)Nc1nccn2nc(C(C)C)cc12
InChIInChI=1S/C13H18N4O3/c1-8(2)9-6-11-12(14-4-5-17(11)16-9)15-10(7-18)13(19)20-3/h4-6,8,10,18H,7H2,1-3H3,(H,14,15)
InChIKeyVJPYAOPCMXIQMI-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.80
Rot. Bonds5

About methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate

methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate (PubChem CID 104733378) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
PubChem CID104733378
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Namemethyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
SMILESCOC(=O)C(CO)Nc1nccn2nc(C(C)C)cc12
InChIInChI=1S/C13H18N4O3/c1-8(2)9-6-11-12(14-4-5-17(11)16-9)15-10(7-18)13(19)20-3/h4-6,8,10,18H,7H2,1-3H3,(H,14,15)
InChIKeyVJPYAOPCMXIQMI-UHFFFAOYSA-N
XLogP0.80
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate (CID 104733378) is methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate is COC(=O)C(CO)Nc1nccn2nc(C(C)C)cc12.
What is the InChIKey of methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate?
The InChIKey is VJPYAOPCMXIQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8(2)9-6-11-12(14-4-5-17(11)16-9)15-10(7-18)13(19)20-3/h4-6,8,10,18H,7H2,1-3H3,(H,14,15).
What are the key properties of methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate?
methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate has a molecular weight of 278.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate is sourced from PubChem (CID 104733378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).