2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid

C11H13N3O2 — CID 104734431

IUPAC2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid
SMILESCCCC(C(=O)O)c1nccn2nccc12
InChIInChI=1S/C11H13N3O2/c1-2-3-8(11(15)16)10-9-4-5-13-14(9)7-6-12-10/h4-8H,2-3H2,1H3,(H,15,16)
InChIKeyWFYSKDFJHRKARE-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.70
Rot. Bonds4

About 2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid

2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid (PubChem CID 104734431) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid.

Molecular Properties

Compound Name2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid
PubChem CID104734431
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid
SMILESCCCC(C(=O)O)c1nccn2nccc12
InChIInChI=1S/C11H13N3O2/c1-2-3-8(11(15)16)10-9-4-5-13-14(9)7-6-12-10/h4-8H,2-3H2,1H3,(H,15,16)
InChIKeyWFYSKDFJHRKARE-UHFFFAOYSA-N
XLogP1.70
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid?
The IUPAC name of 2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid (CID 104734431) is 2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid.
What is the SMILES notation for 2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid?
The canonical SMILES for 2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid is CCCC(C(=O)O)c1nccn2nccc12.
What is the InChIKey of 2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid?
The InChIKey is WFYSKDFJHRKARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-3-8(11(15)16)10-9-4-5-13-14(9)7-6-12-10/h4-8H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid?
2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazolo[1,5-a]pyrazin-4-ylpentanoic acid is sourced from PubChem (CID 104734431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).