2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one

C8H10N2O — CID 59872788

IUPAC2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one
SMILESC=CC=C1C(=O)N(C)N=C1C
InChIInChI=1S/C8H10N2O/c1-4-5-7-6(2)9-10(3)8(7)11/h4-5H,1H2,2-3H3
InChIKeyLXJUGOKDRIFZFD-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.95
Rot. Bonds1

About 2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one

2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one (PubChem CID 59872788) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one
PubChem CID59872788
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one
SMILESC=CC=C1C(=O)N(C)N=C1C
InChIInChI=1S/C8H10N2O/c1-4-5-7-6(2)9-10(3)8(7)11/h4-5H,1H2,2-3H3
InChIKeyLXJUGOKDRIFZFD-UHFFFAOYSA-N
XLogP0.95
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.95
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,5-dimethyl-4-prop-2-enylidenepyrazol-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

Related Compounds

(4E)-2-methyl-4-[(E)-4-methylpent-2-enylidene]-5-(trifluoromethyl)pyrazol-3-one
CID 59887946
4-Ethylidene-2,5-dimethylpyrazol-3-one
CID 22950815
2,5-Dimethyl-4-propan-2-ylidenepyrazol-3-one
CID 22950817
4-Cyclohexa-2,5-dien-1-ylidene-5-methyl-2-propan-2-ylpyrazol-3-one
CID 23534330
2,4,6-Trimethylpyridazin-3-one
CID 58694571
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
(4Z)-2,5-dimethyl-4-[(E)-4-methylpent-2-enylidene]pyrazol-3-one
CID 59887935
(4Z)-2-methyl-4-[(E)-4-methylpent-2-enylidene]-5-propylpyrazol-3-one
CID 59887962
4-(3,5-Diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,5-dimethylpyrazol-3-one
CID 60102403

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one?
The IUPAC name of 2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one (CID 59872788) is 2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one.
What is the SMILES notation for 2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one?
The canonical SMILES for 2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one is C=CC=C1C(=O)N(C)N=C1C.
What is the InChIKey of 2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one?
The InChIKey is LXJUGOKDRIFZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-4-5-7-6(2)9-10(3)8(7)11/h4-5H,1H2,2-3H3.
What are the key properties of 2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one?
2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one has a molecular weight of 150.18 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-prop-2-enylidenepyrazol-3-one is sourced from PubChem (CID 59872788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).