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

C12H15N5O3 — CID 104735553

IUPAC5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(Cn2ccn3nccc3c2=O)O1
InChIInChI=1S/C12H15N5O3/c13-15-11(18)10-2-1-8(20-10)7-16-5-6-17-9(12(16)19)3-4-14-17/h3-6,8,10H,1-2,7,13H2,(H,15,18)
InChIKeyIUQRNWRCCILMQS-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.97
Rot. Bonds3

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

5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide (PubChem CID 104735553) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide
PubChem CID104735553
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(Cn2ccn3nccc3c2=O)O1
InChIInChI=1S/C12H15N5O3/c13-15-11(18)10-2-1-8(20-10)7-16-5-6-17-9(12(16)19)3-4-14-17/h3-6,8,10H,1-2,7,13H2,(H,15,18)
InChIKeyIUQRNWRCCILMQS-UHFFFAOYSA-N
XLogP-0.97
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide (CID 104735553) is 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide is NNC(=O)C1CCC(Cn2ccn3nccc3c2=O)O1.
What is the InChIKey of 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide?
The InChIKey is IUQRNWRCCILMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c13-15-11(18)10-2-1-8(20-10)7-16-5-6-17-9(12(16)19)3-4-14-17/h3-6,8,10H,1-2,7,13H2,(H,15,18).
What are the key properties of 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide?
5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide has a molecular weight of 277.28 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 104735553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).