4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide

C14H13N5O2 — CID 104735538

IUPAC4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2ccn3nccc3c2=O)cc1
InChIInChI=1S/C14H13N5O2/c15-17-13(20)11-3-1-10(2-4-11)9-18-7-8-19-12(14(18)21)5-6-16-19/h1-8H,9,15H2,(H,17,20)
InChIKeyAFTFBHMHASAJTD-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.15
Rot. Bonds3

About 4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide

4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide (PubChem CID 104735538) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide
PubChem CID104735538
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2ccn3nccc3c2=O)cc1
InChIInChI=1S/C14H13N5O2/c15-17-13(20)11-3-1-10(2-4-11)9-18-7-8-19-12(14(18)21)5-6-16-19/h1-8H,9,15H2,(H,17,20)
InChIKeyAFTFBHMHASAJTD-UHFFFAOYSA-N
XLogP0.15
TPSA94.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide (CID 104735538) is 4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide is NNC(=O)c1ccc(Cn2ccn3nccc3c2=O)cc1.
What is the InChIKey of 4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide?
The InChIKey is AFTFBHMHASAJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-17-13(20)11-3-1-10(2-4-11)9-18-7-8-19-12(14(18)21)5-6-16-19/h1-8H,9,15H2,(H,17,20).
What are the key properties of 4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide?
4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide has a molecular weight of 283.29 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzohydrazide is sourced from PubChem (CID 104735538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).