(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one

C21H20N4O — CID 2381666

IUPAC(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCC1
InChIInChI=1S/C21H20N4O/c26-20(24-13-4-5-14-24)11-10-18-16-25(19-8-2-1-3-9-19)23-21(18)17-7-6-12-22-15-17/h1-3,6-12,15-16H,4-5,13-14H2/b11-10+
InChIKeyHEIJPTXTVHLXMY-ZHACJKMWSA-N
MW344.42 g/mol
LogP3.57
Rot. Bonds4

About (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one

(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one (PubChem CID 2381666) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
PubChem CID2381666
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCC1
InChIInChI=1S/C21H20N4O/c26-20(24-13-4-5-14-24)11-10-18-16-25(19-8-2-1-3-9-19)23-21(18)17-7-6-12-22-15-17/h1-3,6-12,15-16H,4-5,13-14H2/b11-10+
InChIKeyHEIJPTXTVHLXMY-ZHACJKMWSA-N
XLogP3.57
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-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

FK-453
CID 6439091
6-Oxo-3-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-1(6H)-pyridazinebutanoic acid
CID 3035594
FR-194921
CID 9821511
(E)-N-hydroxy-3-[4-[1-[2-(2-pyridin-3-ylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 44234773
N-ethyl-5-methyl-N-[2-[3-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389484
(E)-N-hydroxy-3-[4-[1-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 87290521
(E)-N-hydroxy-3-[4-[1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 87290634
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-(3-pyridinylmethylene)benzohydrazide
CID 6874623
(E)-N-hydroxy-3-[4-[[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 44205087
1-Benzyl-4-[3-(Pyridin-4-Yl)-2,4,6,7-Tetrahydro-5h-Pyrazolo[4,3-C]pyridin-5-Yl]pyridin-2(1h)-One
CID 91819624
2-[(5Z)-5-{[1-(2,4-difluorophenyl)-3-(pyridin-3-yl)-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 24797012
(E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 53363092

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one (CID 2381666) is (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one is O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCC1.
What is the InChIKey of (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one?
The InChIKey is HEIJPTXTVHLXMY-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H20N4O/c26-20(24-13-4-5-14-24)11-10-18-16-25(19-8-2-1-3-9-19)23-21(18)17-7-6-12-22-15-17/h1-3,6-12,15-16H,4-5,13-14H2/b11-10+.
What are the key properties of (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one?
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one has a molecular weight of 344.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 2381666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).