3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid

C12H14N4O3 — CID 103116597

IUPAC3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cnn2ccncc12
InChIInChI=1S/C12H14N4O3/c1-2-15(5-3-11(17)18)12(19)9-7-14-16-6-4-13-8-10(9)16/h4,6-8H,2-3,5H2,1H3,(H,17,18)
InChIKeyOMYUHHOWJJFTQR-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.67
Rot. Bonds5

About 3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid

3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid (PubChem CID 103116597) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid
PubChem CID103116597
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cnn2ccncc12
InChIInChI=1S/C12H14N4O3/c1-2-15(5-3-11(17)18)12(19)9-7-14-16-6-4-13-8-10(9)16/h4,6-8H,2-3,5H2,1H3,(H,17,18)
InChIKeyOMYUHHOWJJFTQR-UHFFFAOYSA-N
XLogP0.67
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid (CID 103116597) is 3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cnn2ccncc12.
What is the InChIKey of 3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid?
The InChIKey is OMYUHHOWJJFTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-2-15(5-3-11(17)18)12(19)9-7-14-16-6-4-13-8-10(9)16/h4,6-8H,2-3,5H2,1H3,(H,17,18).
What are the key properties of 3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid?
3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 103116597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).