(E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide

C18H18N4O3 — CID 97046683

IUPAC(E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCCN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)[C@H]1CC(=O)NC1=O
InChIInChI=1S/C18H18N4O3/c1-2-21(15-10-16(23)20-18(15)25)17(24)9-8-13-11-19-22(12-13)14-6-4-3-5-7-14/h3-9,11-12,15H,2,10H2,1H3,(H,20,23,25)/b9-8+/t15-/m0/s1
InChIKeyZLGWSOBFIKVIHW-HVHJFMEUSA-N
MW338.37 g/mol
LogP1.15
Rot. Bonds5

About (E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide

(E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 97046683) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID97046683
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name(E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCCN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)[C@H]1CC(=O)NC1=O
InChIInChI=1S/C18H18N4O3/c1-2-21(15-10-16(23)20-18(15)25)17(24)9-8-13-11-19-22(12-13)14-6-4-3-5-7-14/h3-9,11-12,15H,2,10H2,1H3,(H,20,23,25)/b9-8+/t15-/m0/s1
InChIKeyZLGWSOBFIKVIHW-HVHJFMEUSA-N
XLogP1.15
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide 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

(Z)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 97462604
(E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 38271246
(E)-3-(3,4-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethylprop-2-enamide
CID 98441288
(E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 109388413
(E)-3-(1-phenylpyrazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31839809
(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 170877893
3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 169482421
(E)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46534299
N,N-diethyl-1-[3-(1-phenylpyrazol-4-yl)prop-2-enoylamino]cyclohexane-1-carboxamide
CID 55982565
(E)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 22631090
(E)-1-(3,5-dimethylpiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 24654413
(E)-N-butyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 47118618

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 97046683) is (E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide is CCN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)[C@H]1CC(=O)NC1=O.
What is the InChIKey of (E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is ZLGWSOBFIKVIHW-HVHJFMEUSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-2-21(15-10-16(23)20-18(15)25)17(24)9-8-13-11-19-22(12-13)14-6-4-3-5-7-14/h3-9,11-12,15H,2,10H2,1H3,(H,20,23,25)/b9-8+/t15-/m0/s1.
What are the key properties of (E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
(E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 338.37 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 97046683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).