N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide

C13H17N5O2 — CID 107017971

IUPACN'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide
SMILESCC(C)n1ccc(Cn2cccc(/C(N)=N/O)c2=O)n1
InChIInChI=1S/C13H17N5O2/c1-9(2)18-7-5-10(15-18)8-17-6-3-4-11(13(17)19)12(14)16-20/h3-7,9,20H,8H2,1-2H3,(H2,14,16)
InChIKeyCNEUJFAZCKASHQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.77
Rot. Bonds4

About N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide

N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide (PubChem CID 107017971) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide
PubChem CID107017971
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide
SMILESCC(C)n1ccc(Cn2cccc(/C(N)=N/O)c2=O)n1
InChIInChI=1S/C13H17N5O2/c1-9(2)18-7-5-10(15-18)8-17-6-3-4-11(13(17)19)12(14)16-20/h3-7,9,20H,8H2,1-2H3,(H2,14,16)
InChIKeyCNEUJFAZCKASHQ-UHFFFAOYSA-N
XLogP0.77
TPSA98.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.77
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-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide
CID 107018124
N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide
CID 107017979
N'-hydroxy-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]pyridine-3-carboximidamide
CID 107017990
N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide
CID 107017955
1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018071
1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018025
1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018015
ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 102604433
N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide
CID 107017996
N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide
CID 107018140
1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107017959
5-bromo-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 66310631

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide (CID 107017971) is N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide is CC(C)n1ccc(Cn2cccc(/C(N)=N/O)c2=O)n1.
What is the InChIKey of N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide?
The InChIKey is CNEUJFAZCKASHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9(2)18-7-5-10(15-18)8-17-6-3-4-11(13(17)19)12(14)16-20/h3-7,9,20H,8H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide?
N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide has a molecular weight of 275.31 g/mol, XLogP of 0.77, 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-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide is sourced from PubChem (CID 107017971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).