5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide

C11H10N6O3 — CID 104735539

IUPAC5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(Cn2ccn3nccc3c2=O)on1
InChIInChI=1S/C11H10N6O3/c12-14-10(18)8-5-7(20-15-8)6-16-3-4-17-9(11(16)19)1-2-13-17/h1-5H,6,12H2,(H,14,18)
InChIKeyINRQAYXXRHUQMV-UHFFFAOYSA-N
MW274.24 g/mol
LogP-0.86
Rot. Bonds3

About 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide

5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 104735539) has the molecular formula C11H10N6O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID104735539
Molecular FormulaC11H10N6O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(Cn2ccn3nccc3c2=O)on1
InChIInChI=1S/C11H10N6O3/c12-14-10(18)8-5-7(20-15-8)6-16-3-4-17-9(11(16)19)1-2-13-17/h1-5H,6,12H2,(H,14,18)
InChIKeyINRQAYXXRHUQMV-UHFFFAOYSA-N
XLogP-0.86
TPSA120.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide (CID 104735539) is 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(Cn2ccn3nccc3c2=O)on1.
What is the InChIKey of 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is INRQAYXXRHUQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O3/c12-14-10(18)8-5-7(20-15-8)6-16-3-4-17-9(11(16)19)1-2-13-17/h1-5H,6,12H2,(H,14,18).
What are the key properties of 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 274.24 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 104735539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).