N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide

C20H25N5O3S — CID 7676279

IUPACN'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCN2CCOCC2)CSC3)cc1
InChIInChI=1S/C20H25N5O3S/c1-14-2-4-15(5-3-14)25-18(16-12-29-13-17(16)23-25)22-20(27)19(26)21-6-7-24-8-10-28-11-9-24/h2-5H,6-13H2,1H3,(H,21,26)(H,22,27)
InChIKeyHUQKMPVTVVBMSL-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.31
Rot. Bonds5

About N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide

N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 7676279) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID7676279
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC NameN'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCN2CCOCC2)CSC3)cc1
InChIInChI=1S/C20H25N5O3S/c1-14-2-4-15(5-3-14)25-18(16-12-29-13-17(16)23-25)22-20(27)19(26)21-6-7-24-8-10-28-11-9-24/h2-5H,6-13H2,1H3,(H,21,26)(H,22,27)
InChIKeyHUQKMPVTVVBMSL-UHFFFAOYSA-N
XLogP1.31
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide 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

N-(3-methylbutyl)-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7676239
N'-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 29151701
N-[(2S)-2-hydroxypropyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7676251
N'-[(2S)-butan-2-yl]-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7676237
5-bromo-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 4181505
N'-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7423979
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4121305
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide
CID 5210835
3,4-dimethoxy-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4087525
N'-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[(2S)-2-hydroxypropyl]oxamide
CID 7685378
N'-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[(2R)-2-hydroxypropyl]oxamide
CID 7685377

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide (CID 7676279) is N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide is Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCN2CCOCC2)CSC3)cc1.
What is the InChIKey of N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is HUQKMPVTVVBMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-14-2-4-15(5-3-14)25-18(16-12-29-13-17(16)23-25)22-20(27)19(26)21-6-7-24-8-10-28-11-9-24/h2-5H,6-13H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide?
N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 415.52 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 7676279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).