(2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one

C16H18N2O2 — CID 19540981

IUPAC(2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one
SMILESCCn1ncc(C(=O)/C=C/C(C)=C/c2ccco2)c1C
InChIInChI=1S/C16H18N2O2/c1-4-18-13(3)15(11-17-18)16(19)8-7-12(2)10-14-6-5-9-20-14/h5-11H,4H2,1-3H3/b8-7+,12-10+
InChIKeyHWSACPPKCHXLDA-DCXZXJRMSA-N
MW270.33 g/mol
LogP3.65
Rot. Bonds5

About (2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one

(2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one (PubChem CID 19540981) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one
PubChem CID19540981
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one
SMILESCCn1ncc(C(=O)/C=C/C(C)=C/c2ccco2)c1C
InChIInChI=1S/C16H18N2O2/c1-4-18-13(3)15(11-17-18)16(19)8-7-12(2)10-14-6-5-9-20-14/h5-11H,4H2,1-3H3/b8-7+,12-10+
InChIKeyHWSACPPKCHXLDA-DCXZXJRMSA-N
XLogP3.65
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-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

N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-methylfuran-3-carbohydrazide
CID 6885163
Furan-3-carbohydrazide, 2-methyl-N2-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylene-
CID 9593094
N'-[(E)-furan-2-ylmethylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 6880038
N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5412168
N-[2-(Furan-2-YL)ethyl]-3-(3-methyl-1H-pyrazol-1-YL)propanamide
CID 46339450
N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine
CID 46954432
1-ethyl-5-(furan-2-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739278
1-ethyl-7-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739279
[7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(2-methylfuran-3-yl)methanone
CID 118739389
7-(cyclopropylmethoxymethyl)-5-(furan-2-ylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118740939
6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118746219
N-[3-(2-furyl)-1-methylpropyl]-N-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 45106837

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one (CID 19540981) is (2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one is CCn1ncc(C(=O)/C=C/C(C)=C/c2ccco2)c1C.
What is the InChIKey of (2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one?
The InChIKey is HWSACPPKCHXLDA-DCXZXJRMSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-18-13(3)15(11-17-18)16(19)8-7-12(2)10-14-6-5-9-20-14/h5-11H,4H2,1-3H3/b8-7+,12-10+.
What are the key properties of (2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one?
(2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one has a molecular weight of 270.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-(1-ethyl-5-methylpyrazol-4-yl)-5-(furan-2-yl)-4-methylpenta-2,4-dien-1-one is sourced from PubChem (CID 19540981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).