4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+)

C7H9N2OY+2 — CID 22950814

IUPAC4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+)
SMILESC/[C-]=C1\C(=O)N(C)N=C1C.[Y+3]
InChIInChI=1S/C7H9N2O.Y/c1-4-6-5(2)8-9(3)7(6)10;/h1-3H3;/q-1;+3
InChIKeyZBQOEWXVCLKUDK-UHFFFAOYSA-N
MW226.07 g/mol
LogP0.58
Rot. Bonds

About 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+)

4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+) (PubChem CID 22950814) has the molecular formula C7H9N2OY+2 and a molecular weight of 226.07 g/mol. Its IUPAC name is 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+).

Molecular Properties

Compound Name4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+)
PubChem CID22950814
Molecular FormulaC7H9N2OY+2
Molecular Weight226.07 g/mol
Exact Mass225.98
IUPAC Name4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+)
SMILESC/[C-]=C1\C(=O)N(C)N=C1C.[Y+3]
InChIInChI=1S/C7H9N2O.Y/c1-4-6-5(2)8-9(3)7(6)10;/h1-3H3;/q-1;+3
InChIKeyZBQOEWXVCLKUDK-UHFFFAOYSA-N
XLogP0.58
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+) with MolForge

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

Launch Full Analysis

Related Compounds

2,4,5,6-Tetramethylpyridazin-3-one
CID 18683336
2,5-Dimethyl-4-methylidenepyrazol-3-one
CID 20614787
4-Ethylidene-2,5-dimethylpyrazol-3-one
CID 22950815
2,5-Dimethyl-4-propan-2-ylidenepyrazol-3-one
CID 22950817
4-Ethyl-2,6-dimethylpyridazin-3-one
CID 59120442
2,5-Dimethyl-4-prop-2-enylidenepyrazol-3-one;yttrium
CID 59872787
4-Ethylidene-2,5-dimethylpyrazol-3-one;yttrium
CID 59878742
(4E)-4-(3,4-dimethylpent-3-en-2-ylidene)-2,5-dimethylpyrazol-3-one
CID 59887615
Ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one
CID 90827651
2-Ethyl-5-methyl-4-propan-2-ylidenepyrazol-3-one
CID 118402957
(4E)-4-ethylidene-2,5-dimethylpyrazol-3-one
CID 20764738
2,5-Dimethyl-4-prop-2-enylidenepyrazol-3-one
CID 59872788

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+)?
The IUPAC name of 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+) (CID 22950814) is 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+).
What is the SMILES notation for 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+)?
The canonical SMILES for 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+) is C/[C-]=C1\C(=O)N(C)N=C1C.[Y+3].
What is the InChIKey of 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+)?
The InChIKey is ZBQOEWXVCLKUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2O.Y/c1-4-6-5(2)8-9(3)7(6)10;/h1-3H3;/q-1;+3.
What are the key properties of 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+)?
4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+) has a molecular weight of 226.07 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium(3+) is sourced from PubChem (CID 22950814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).