(Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide

C17H18N4O2 — CID 98525887

IUPAC(Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
SMILESCn1cc(N2CC[C@H](NC(=O)/C=C\c3ccccc3)C2=O)cn1
InChIInChI=1S/C17H18N4O2/c1-20-12-14(11-18-20)21-10-9-15(17(21)23)19-16(22)8-7-13-5-3-2-4-6-13/h2-8,11-12,15H,9-10H2,1H3,(H,19,22)/b8-7-/t15-/m0/s1
InChIKeyFPCJQZOMKJGPKA-LZNQSLFOSA-N
MW310.36 g/mol
LogP1.36
Rot. Bonds4

About (Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide

(Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide (PubChem CID 98525887) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
PubChem CID98525887
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
SMILESCn1cc(N2CC[C@H](NC(=O)/C=C\c3ccccc3)C2=O)cn1
InChIInChI=1S/C17H18N4O2/c1-20-12-14(11-18-20)21-10-9-15(17(21)23)19-16(22)8-7-13-5-3-2-4-6-13/h2-8,11-12,15H,9-10H2,1H3,(H,19,22)/b8-7-/t15-/m0/s1
InChIKeyFPCJQZOMKJGPKA-LZNQSLFOSA-N
XLogP1.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-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

3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951802
(2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide
CID 95629604
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
(2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide
CID 119330173
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide
CID 126780344
7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119795297
1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one
CID 175939798
2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 120668675
N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide
CID 133306320
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120932997
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpiperidin-3-yl]prop-2-enamide
CID 95322779

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide (CID 98525887) is (Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide is Cn1cc(N2CC[C@H](NC(=O)/C=C\c3ccccc3)C2=O)cn1.
What is the InChIKey of (Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
The InChIKey is FPCJQZOMKJGPKA-LZNQSLFOSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-20-12-14(11-18-20)21-10-9-15(17(21)23)19-16(22)8-7-13-5-3-2-4-6-13/h2-8,11-12,15H,9-10H2,1H3,(H,19,22)/b8-7-/t15-/m0/s1.
What are the key properties of (Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
(Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide has a molecular weight of 310.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 98525887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).