(4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one

C17H22N4O4 — CID 22623446

IUPAC(4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one
SMILESCC1=NN(CCO)C(=O)/C1=C\C=C\C=C\c1c(C)[nH]n(CCO)c1=O
InChIInChI=1S/C17H22N4O4/c1-12-14(16(24)20(18-12)8-10-22)6-4-3-5-7-15-13(2)19-21(9-11-23)17(15)25/h3-7,18,22-23H,8-11H2,1-2H3/b5-3+,6-4+,15-7-
InChIKeyFFOWFOOODPNEDZ-IMLIWWCASA-N
MW346.39 g/mol
LogP0.18
Rot. Bonds7

About (4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one

(4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one (PubChem CID 22623446) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is (4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one.

Molecular Properties

Compound Name(4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one
PubChem CID22623446
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name(4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one
SMILESCC1=NN(CCO)C(=O)/C1=C\C=C\C=C\c1c(C)[nH]n(CCO)c1=O
InChIInChI=1S/C17H22N4O4/c1-12-14(16(24)20(18-12)8-10-22)6-4-3-5-7-15-13(2)19-21(9-11-23)17(15)25/h3-7,18,22-23H,8-11H2,1-2H3/b5-3+,6-4+,15-7-
InChIKeyFFOWFOOODPNEDZ-IMLIWWCASA-N
XLogP0.18
TPSA110.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-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-(2-hydroxyethyl)-4-[[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-5-methylpyrazol-3-one
CID 18710828
(4E)-4-[(E)-3-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)prop-2-enylidene]-2,5-dimethylpyrazol-3-one
CID 18710830
(4Z)-4-[(2E,4E)-5-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)penta-2,4-dienylidene]-2,5-dimethylpyrazol-3-one
CID 22623433
(4Z)-2-(2-hydroxyethyl)-4-[(E)-3-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-methylpyrazol-3-one
CID 22623438
(4Z)-2-(2-hydroxyethyl)-4-[[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-5-methylpyrazol-3-one
CID 22623440
(4Z)-4-[(E)-3-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)prop-2-enylidene]-2,5-dimethylpyrazol-3-one
CID 22623451
2-(2-hydroxyethyl)-4-[5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-1,3,4-trienyl]-5-methyl-1H-pyrazol-3-one
CID 53779479
4-[5-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)penta-2,4-dienylidene]-2,5-dimethylpyrazol-3-one
CID 54003218
4-[3-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)prop-2-enylidene]-2,5-dimethylpyrazol-3-one
CID 54355286
2-(2-hydroxyethyl)-4-[[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-5-methylpyrazol-3-one
CID 69862833
4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-2,5-dimethylpyrazol-3-one;2-(2-hydroxyethyl)-4-[[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-5-methylpyrazol-3-one
CID 70211920
2-(2-hydroxyethyl)-4-[3-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]prop-2-enylidene]-5-methylpyrazol-3-one
CID 73986597

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one?
The IUPAC name of (4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one (CID 22623446) is (4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one.
What is the SMILES notation for (4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one?
The canonical SMILES for (4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one is CC1=NN(CCO)C(=O)/C1=C\C=C\C=C\c1c(C)[nH]n(CCO)c1=O.
What is the InChIKey of (4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one?
The InChIKey is FFOWFOOODPNEDZ-IMLIWWCASA-N. The full InChI is InChI=1S/C17H22N4O4/c1-12-14(16(24)20(18-12)8-10-22)6-4-3-5-7-15-13(2)19-21(9-11-23)17(15)25/h3-7,18,22-23H,8-11H2,1-2H3/b5-3+,6-4+,15-7-.
What are the key properties of (4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one?
(4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one has a molecular weight of 346.39 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2-hydroxyethyl)-4-[(2E,4E)-5-[2-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]penta-2,4-dienylidene]-5-methylpyrazol-3-one is sourced from PubChem (CID 22623446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).