N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide

C11H13N5O2 — CID 107017996

IUPACN'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(CCn2cccn2)c1=O
InChIInChI=1S/C11H13N5O2/c12-10(14-18)9-3-1-5-15(11(9)17)7-8-16-6-2-4-13-16/h1-6,18H,7-8H2,(H2,12,14)
InChIKeyVEKKKPKBNAGPMY-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.16
Rot. Bonds4

About N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide

N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide (PubChem CID 107017996) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide
PubChem CID107017996
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(CCn2cccn2)c1=O
InChIInChI=1S/C11H13N5O2/c12-10(14-18)9-3-1-5-15(11(9)17)7-8-16-6-2-4-13-16/h1-6,18H,7-8H2,(H2,12,14)
InChIKeyVEKKKPKBNAGPMY-UHFFFAOYSA-N
XLogP-0.16
TPSA98.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide
CID 107018140
N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide
CID 107919584
N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide
CID 107017955
N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide
CID 107018124
1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018071
N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide
CID 107017979
N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide
CID 107913580
N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide
CID 107920822
1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107017959
1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018025
N'-hydroxy-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]pyridine-3-carboximidamide
CID 107017990
[1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol
CID 66398040

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide (CID 107017996) is N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide is N/C(=N/O)c1cccn(CCn2cccn2)c1=O.
What is the InChIKey of N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide?
The InChIKey is VEKKKPKBNAGPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-10(14-18)9-3-1-5-15(11(9)17)7-8-16-6-2-4-13-16/h1-6,18H,7-8H2,(H2,12,14).
What are the key properties of N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide?
N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide has a molecular weight of 247.26 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 107017996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).