4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one

C14H18N4O3 — CID 129252463

IUPAC4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one
SMILES[H]/N=C(\C)C1(N(O)OCc2ccccc2)C(=O)N(C)N=C1C
InChIInChI=1S/C14H18N4O3/c1-10(15)14(11(2)16-17(3)13(14)19)18(20)21-9-12-7-5-4-6-8-12/h4-8,15,20H,9H2,1-3H3/b15-10+
InChIKeyPIPFWABPSYKIBN-XNTDXEJSSA-N
MW290.32 g/mol
LogP1.44
Rot. Bonds5

About 4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one

4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one (PubChem CID 129252463) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one.

Molecular Properties

Compound Name4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one
PubChem CID129252463
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one
SMILES[H]/N=C(\C)C1(N(O)OCc2ccccc2)C(=O)N(C)N=C1C
InChIInChI=1S/C14H18N4O3/c1-10(15)14(11(2)16-17(3)13(14)19)18(20)21-9-12-7-5-4-6-8-12/h4-8,15,20H,9H2,1-3H3/b15-10+
InChIKeyPIPFWABPSYKIBN-XNTDXEJSSA-N
XLogP1.44
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one 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 4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one?
The IUPAC name of 4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one (CID 129252463) is 4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one.
What is the SMILES notation for 4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one?
The canonical SMILES for 4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one is [H]/N=C(\C)C1(N(O)OCc2ccccc2)C(=O)N(C)N=C1C.
What is the InChIKey of 4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one?
The InChIKey is PIPFWABPSYKIBN-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-10(15)14(11(2)16-17(3)13(14)19)18(20)21-9-12-7-5-4-6-8-12/h4-8,15,20H,9H2,1-3H3/b15-10+.
What are the key properties of 4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one?
4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one has a molecular weight of 290.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoyl-4-[hydroxy(phenylmethoxy)amino]-2,5-dimethylpyrazol-3-one is sourced from PubChem (CID 129252463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).