2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide

C13H17N5O — CID 61238154

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESCCc1c(C)nn(-c2ncccc2C(N)=NO)c1C
InChIInChI=1S/C13H17N5O/c1-4-10-8(2)16-18(9(10)3)13-11(12(14)17-19)6-5-7-15-13/h5-7,19H,4H2,1-3H3,(H2,14,17)
InChIKeyHJYXLDQLZZOGKA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.54
Rot. Bonds3

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 61238154) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide
PubChem CID61238154
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESCCc1c(C)nn(-c2ncccc2C(N)=NO)c1C
InChIInChI=1S/C13H17N5O/c1-4-10-8(2)16-18(9(10)3)13-11(12(14)17-19)6-5-7-15-13/h5-7,19H,4H2,1-3H3,(H2,14,17)
InChIKeyHJYXLDQLZZOGKA-UHFFFAOYSA-N
XLogP1.54
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide (CID 61238154) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide is CCc1c(C)nn(-c2ncccc2C(N)=NO)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is HJYXLDQLZZOGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-4-10-8(2)16-18(9(10)3)13-11(12(14)17-19)6-5-7-15-13/h5-7,19H,4H2,1-3H3,(H2,14,17).
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 259.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 61238154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).