N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide

C21H19N3OS — CID 2834907

IUPACN-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN(c3ccccc3)C(c3cccs3)C2)cc1
InChIInChI=1S/C21H19N3OS/c1-15(25)22-17-11-9-16(10-12-17)19-14-20(21-8-5-13-26-21)24(23-19)18-6-3-2-4-7-18/h2-13,20H,14H2,1H3,(H,22,25)
InChIKeyMFIIXFKHYLDAEC-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.06
Rot. Bonds4

About N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide

N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide (PubChem CID 2834907) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide
PubChem CID2834907
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC NameN-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN(c3ccccc3)C(c3cccs3)C2)cc1
InChIInChI=1S/C21H19N3OS/c1-15(25)22-17-11-9-16(10-12-17)19-14-20(21-8-5-13-26-21)24(23-19)18-6-3-2-4-7-18/h2-13,20H,14H2,1H3,(H,22,25)
InChIKeyMFIIXFKHYLDAEC-UHFFFAOYSA-N
XLogP5.06
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide 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

2,3-Diphenyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 3834518
N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide
CID 2963394
N-[4-[2-(cyclohexanecarbonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 4087131
N-{4-[1-(2-methylpropanoyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
CID 4092587
N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 4225471
5-(4-Fluorophenyl)-1-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 5222003
N-(4-Methylphenyl)-3-{N'-[(E)-(thiophen-2-YL)methylidene]hydrazinecarbonyl}propanamide
CID 9666471
1-(4-Aminosulfonylphenyl)-5-(2-thienyl)-3-(4-methanesulfonylaminophenyl)-4,5-dihydro-1H-pyrazole (6f)
CID 126842656
1-(4-fluorophenyl)-5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2854033
N-{3-[1-acetyl-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
CID 2983587
N-[3-(2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
CID 2990246
1-Acetyl-3-{4-[(ethylsulfonyl)amino]phenyl}-5-(2-thienyl)-2-pyrazoline
CID 4209901

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide (CID 2834907) is N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2=NN(c3ccccc3)C(c3cccs3)C2)cc1.
What is the InChIKey of N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
The InChIKey is MFIIXFKHYLDAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-15(25)22-17-11-9-16(10-12-17)19-14-20(21-8-5-13-26-21)24(23-19)18-6-3-2-4-7-18/h2-13,20H,14H2,1H3,(H,22,25).
What are the key properties of N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 2834907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).