N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide

C11H19N5O2 — CID 77113193

IUPACN-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
SMILESCCN(CC(N)=NO)C(=O)c1cc(C)nn1CC
InChIInChI=1S/C11H19N5O2/c1-4-15(7-10(12)14-18)11(17)9-6-8(3)13-16(9)5-2/h6,18H,4-5,7H2,1-3H3,(H2,12,14)
InChIKeyHVEUVSLKIJGIRF-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.42
Rot. Bonds5

About N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide (PubChem CID 77113193) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
PubChem CID77113193
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
SMILESCCN(CC(N)=NO)C(=O)c1cc(C)nn1CC
InChIInChI=1S/C11H19N5O2/c1-4-15(7-10(12)14-18)11(17)9-6-8(3)13-16(9)5-2/h6,18H,4-5,7H2,1-3H3,(H2,12,14)
InChIKeyHVEUVSLKIJGIRF-UHFFFAOYSA-N
XLogP0.42
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.42
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'}

Analyze N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide (CID 77113193) is N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide is CCN(CC(N)=NO)C(=O)c1cc(C)nn1CC.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is HVEUVSLKIJGIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-15(7-10(12)14-18)11(17)9-6-8(3)13-16(9)5-2/h6,18H,4-5,7H2,1-3H3,(H2,12,14).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 77113193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).