N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide

C13H19N7O — CID 104730286

IUPACN'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide
SMILESCC(/C(N)=N/O)N1CCN(c2nccn3nccc23)CC1
InChIInChI=1S/C13H19N7O/c1-10(12(14)17-21)18-6-8-19(9-7-18)13-11-2-3-16-20(11)5-4-15-13/h2-5,10,21H,6-9H2,1H3,(H2,14,17)
InChIKeyADEKWLWLECJEOF-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.01
Rot. Bonds3

About N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide

N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide (PubChem CID 104730286) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide
PubChem CID104730286
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide
SMILESCC(/C(N)=N/O)N1CCN(c2nccn3nccc23)CC1
InChIInChI=1S/C13H19N7O/c1-10(12(14)17-21)18-6-8-19(9-7-18)13-11-2-3-16-20(11)5-4-15-13/h2-5,10,21H,6-9H2,1H3,(H2,14,17)
InChIKeyADEKWLWLECJEOF-UHFFFAOYSA-N
XLogP-0.01
TPSA95.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide
CID 77012268
4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 166605461
1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)ethanone
CID 104730056
2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87561124
2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]propanethioamide
CID 104730039
4-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-amine
CID 103577532
4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 154830011
4-[4-(2-chloroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 113446610
4-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)butan-1-amine
CID 104729861
4-[4-(5-fluoro-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 154829132
4-(4-chlorophenyl)-1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-ol
CID 163350499
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-3-carboxamide
CID 172899821

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide (CID 104730286) is N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide is CC(/C(N)=N/O)N1CCN(c2nccn3nccc23)CC1.
What is the InChIKey of N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide?
The InChIKey is ADEKWLWLECJEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-10(12(14)17-21)18-6-8-19(9-7-18)13-11-2-3-16-20(11)5-4-15-13/h2-5,10,21H,6-9H2,1H3,(H2,14,17).
What are the key properties of N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide?
N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide has a molecular weight of 289.34 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 104730286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).