(Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one

C20H19N3O2S — CID 2176100

IUPAC(Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)N1CCOCC1
InChIInChI=1S/C20H19N3O2S/c24-19(22-10-12-25-13-11-22)9-8-16-15-23(17-5-2-1-3-6-17)21-20(16)18-7-4-14-26-18/h1-9,14-15H,10-13H2/b9-8-
InChIKeyGAPCJAXXLNJDHC-HJWRWDBZSA-N
MW365.46 g/mol
LogP3.47
Rot. Bonds4

About (Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one

(Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one (PubChem CID 2176100) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is (Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one
PubChem CID2176100
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name(Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)N1CCOCC1
InChIInChI=1S/C20H19N3O2S/c24-19(22-10-12-25-13-11-22)9-8-16-15-23(17-5-2-1-3-6-17)21-20(16)18-7-4-14-26-18/h1-9,14-15H,10-13H2/b9-8-
InChIKeyGAPCJAXXLNJDHC-HJWRWDBZSA-N
XLogP3.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

((5Z)-4-Oxo-5-{[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-YL]methylene}-2-thioxo-1,3-thiazolidin-3-YL)acetic acid
CID 5933485
3-(1-Phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)acrylic acid
CID 876549
3-[(5Z)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 1905127
4-[(5Z)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CID 2135098
Morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2140148
(4-Phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2312348
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
(Z)-2-(Morpholine-4-carbonyl)-3-[1-phenyl-3-(4-propylsulfanyl-phenyl)-1H-pyrazol-4-yl]-acrylonitrile
CID 1874996
(E)-N-Allyl-2-cyano-3-(1-phenyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-acrylamide
CID 1902746
Sdccgsbi-0662020.P001
CID 2407483
(2,6-Dimethylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2999214
N-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride
CID 11834402

Frequently Asked Questions

What is the IUPAC name of (Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one?
The IUPAC name of (Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one (CID 2176100) is (Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one is O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)N1CCOCC1.
What is the InChIKey of (Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one?
The InChIKey is GAPCJAXXLNJDHC-HJWRWDBZSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-19(22-10-12-25-13-11-22)9-8-16-15-23(17-5-2-1-3-6-17)21-20(16)18-7-4-14-26-18/h1-9,14-15H,10-13H2/b9-8-.
What are the key properties of (Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one?
(Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one has a molecular weight of 365.46 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-morpholin-4-yl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 2176100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).