N-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide

C9H16N4O3 — CID 118537959

IUPACN-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide
SMILESCCON=C(C)N(O)C1C(=O)N(C)N=C1C
InChIInChI=1S/C9H16N4O3/c1-5-16-11-7(3)13(15)8-6(2)10-12(4)9(8)14/h8,15H,5H2,1-4H3
InChIKeyZGBDEPAITZTMAQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.26
Rot. Bonds3

About N-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide

N-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide (PubChem CID 118537959) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide
PubChem CID118537959
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide
SMILESCCON=C(C)N(O)C1C(=O)N(C)N=C1C
InChIInChI=1S/C9H16N4O3/c1-5-16-11-7(3)13(15)8-6(2)10-12(4)9(8)14/h8,15H,5H2,1-4H3
InChIKeyZGBDEPAITZTMAQ-UHFFFAOYSA-N
XLogP0.26
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide?
The IUPAC name of N-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide (CID 118537959) is N-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide.
What is the SMILES notation for N-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide?
The canonical SMILES for N-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide is CCON=C(C)N(O)C1C(=O)N(C)N=C1C.
What is the InChIKey of N-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide?
The InChIKey is ZGBDEPAITZTMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-5-16-11-7(3)13(15)8-6(2)10-12(4)9(8)14/h8,15H,5H2,1-4H3.
What are the key properties of N-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide?
N-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide has a molecular weight of 228.25 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)-N'-ethoxy-N-hydroxyethanimidamide is sourced from PubChem (CID 118537959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).