4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one

C20H20N4OS — CID 95863933

IUPAC4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
SMILESCN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)SC2)cc1
InChIInChI=1S/C20H20N4OS/c1-23(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)22-24(18)19-13-26-20(25)21-19/h3-11,18H,12-13H2,1-2H3/t18-/m1/s1
InChIKeyZNFMSZBIYYPYID-GOSISDBHSA-N
MW364.47 g/mol
LogP4.17
Rot. Bonds3

About 4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one

4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one (PubChem CID 95863933) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
PubChem CID95863933
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
SMILESCN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)SC2)cc1
InChIInChI=1S/C20H20N4OS/c1-23(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)22-24(18)19-13-26-20(25)21-19/h3-11,18H,12-13H2,1-2H3/t18-/m1/s1
InChIKeyZNFMSZBIYYPYID-GOSISDBHSA-N
XLogP4.17
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-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

4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline
CID 2729182
4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
CID 66488350
4-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
CID 66488121
N,N-dimethyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 7194736
1-[(3S)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 879557
N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline
CID 42645863
N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 11405575
4-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
CID 86807981
4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 7058514
4-[(3S)-5-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]benzoate
CID 7150383
N,N-dimethyl-4-[2-(4-naphthalen-2-yl-5-phenyldiazenyl-1,3-thiazol-2-yl)-5-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 16736473
(5Z)-2-[3-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 50740899

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one?
The IUPAC name of 4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one (CID 95863933) is 4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one is CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)SC2)cc1.
What is the InChIKey of 4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one?
The InChIKey is ZNFMSZBIYYPYID-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-23(2)16-10-8-15(9-11-16)18-12-17(14-6-4-3-5-7-14)22-24(18)19-13-26-20(25)21-19/h3-11,18H,12-13H2,1-2H3/t18-/m1/s1.
What are the key properties of 4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one?
4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one has a molecular weight of 364.47 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one is sourced from PubChem (CID 95863933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).