N-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide

C24H20N4O2S — CID 34316525

IUPACN-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide
SMILESCNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)NC(=O)c1ccccc1
InChIInChI=1S/C24H20N4O2S/c1-25-24(30)20(26-23(29)17-9-4-2-5-10-17)15-18-16-28(19-11-6-3-7-12-19)27-22(18)21-13-8-14-31-21/h2-16H,1H3,(H,25,30)(H,26,29)/b20-15-
InChIKeyAZDSSNWKBZLFCD-HKWRFOASSA-N
MW428.52 g/mol
LogP4.12
Rot. Bonds6

About N-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide

N-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide (PubChem CID 34316525) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide
PubChem CID34316525
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC NameN-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide
SMILESCNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)NC(=O)c1ccccc1
InChIInChI=1S/C24H20N4O2S/c1-25-24(30)20(26-23(29)17-9-4-2-5-10-17)15-18-16-28(19-11-6-3-7-12-19)27-22(18)21-13-8-14-31-21/h2-16H,1H3,(H,25,30)(H,26,29)/b20-15-
InChIKeyAZDSSNWKBZLFCD-HKWRFOASSA-N
XLogP4.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide
CID 42558342
N-[(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 2302848
(E)-2-cyano-N-(1-phenylethyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 6259308
4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6180975
(Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 2369988
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
2-bromo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 5151763
2-amino-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 21370941
(E)-2-(benzenesulfonyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile
CID 34307593
1-phenyl-3-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea
CID 56727062
2,4-dichloro-N-[3-(2-morpholin-4-ylethylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide
CID 4292798
(2Z)-4,4,4-trifluoro-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-1-thiophen-2-ylbutane-1,3-dione
CID 34360560

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide (CID 34316525) is N-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide is CNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide?
The InChIKey is AZDSSNWKBZLFCD-HKWRFOASSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-25-24(30)20(26-23(29)17-9-4-2-5-10-17)15-18-16-28(19-11-6-3-7-12-19)27-22(18)21-13-8-14-31-21/h2-16H,1H3,(H,25,30)(H,26,29)/b20-15-.
What are the key properties of N-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide?
N-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide has a molecular weight of 428.52 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(methylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 34316525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).