2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide

C14H19N5O — CID 137013688

IUPAC2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCCc1cc(CC)n(-c2cc(/C(N)=N/O)cc(C)n2)n1
InChIInChI=1S/C14H19N5O/c1-4-11-8-12(5-2)19(17-11)13-7-10(14(15)18-20)6-9(3)16-13/h6-8,20H,4-5H2,1-3H3,(H2,15,18)
InChIKeyFPEAIMDKZCWHSP-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.80
Rot. Bonds4

About 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide

2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide (PubChem CID 137013688) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide
PubChem CID137013688
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCCc1cc(CC)n(-c2cc(/C(N)=N/O)cc(C)n2)n1
InChIInChI=1S/C14H19N5O/c1-4-11-8-12(5-2)19(17-11)13-7-10(14(15)18-20)6-9(3)16-13/h6-8,20H,4-5H2,1-3H3,(H2,15,18)
InChIKeyFPEAIMDKZCWHSP-UHFFFAOYSA-N
XLogP1.80
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.80
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-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide (CID 137013688) is 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide is CCc1cc(CC)n(-c2cc(/C(N)=N/O)cc(C)n2)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The InChIKey is FPEAIMDKZCWHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-11-8-12(5-2)19(17-11)13-7-10(14(15)18-20)6-9(3)16-13/h6-8,20H,4-5H2,1-3H3,(H2,15,18).
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide?
2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide has a molecular weight of 273.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 137013688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).