4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one

C11H11N3O2 — CID 3780194

IUPAC4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one
SMILESCON=CC1C(=O)NN=C1c1ccccc1
InChIInChI=1S/C11H11N3O2/c1-16-12-7-9-10(13-14-11(9)15)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,14,15)
InChIKeyHVZLFTFMCUNAQK-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.77
Rot. Bonds3

About 4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one

4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one (PubChem CID 3780194) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one
PubChem CID3780194
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one
SMILESCON=CC1C(=O)NN=C1c1ccccc1
InChIInChI=1S/C11H11N3O2/c1-16-12-7-9-10(13-14-11(9)15)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,14,15)
InChIKeyHVZLFTFMCUNAQK-UHFFFAOYSA-N
XLogP0.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one?
The IUPAC name of 4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one (CID 3780194) is 4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one is CON=CC1C(=O)NN=C1c1ccccc1.
What is the InChIKey of 4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one?
The InChIKey is HVZLFTFMCUNAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-12-7-9-10(13-14-11(9)15)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,14,15).
What are the key properties of 4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one?
4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one has a molecular weight of 217.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxyiminomethyl)-3-phenyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 3780194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).