N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide

C14H19N5O — CID 81054872

IUPACN'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide
SMILESCc1cc(-n2ccc(C(C)C)n2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C14H19N5O/c1-8(2)11-5-6-19(17-11)12-7-9(3)16-10(4)13(12)14(15)18-20/h5-8,20H,1-4H3,(H2,15,18)
InChIKeyASXUTPCNMIDIFE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.10
Rot. Bonds3

About N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide

N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide (PubChem CID 81054872) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide
PubChem CID81054872
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide
SMILESCc1cc(-n2ccc(C(C)C)n2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C14H19N5O/c1-8(2)11-5-6-19(17-11)12-7-9(3)16-10(4)13(12)14(15)18-20/h5-8,20H,1-4H3,(H2,15,18)
InChIKeyASXUTPCNMIDIFE-UHFFFAOYSA-N
XLogP2.10
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.10
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 N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide (CID 81054872) is N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide is Cc1cc(-n2ccc(C(C)C)n2)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide?
The InChIKey is ASXUTPCNMIDIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-8(2)11-5-6-19(17-11)12-7-9(3)16-10(4)13(12)14(15)18-20/h5-8,20H,1-4H3,(H2,15,18).
What are the key properties of N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide?
N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide has a molecular weight of 273.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 81054872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).