2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide

C18H18N4O2S — CID 86825790

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide
SMILESCc1ncc(CNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)s1
InChIInChI=1S/C18H18N4O2S/c1-11-16(12(2)22(21-11)14-7-5-4-6-8-14)17(23)18(24)20-10-15-9-19-13(3)25-15/h4-9H,10H2,1-3H3,(H,20,24)
InChIKeyHAYSITAQWLZUTP-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.75
Rot. Bonds5

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide (PubChem CID 86825790) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide
PubChem CID86825790
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide
SMILESCc1ncc(CNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)s1
InChIInChI=1S/C18H18N4O2S/c1-11-16(12(2)22(21-11)14-7-5-4-6-8-14)17(23)18(24)20-10-15-9-19-13(3)25-15/h4-9H,10H2,1-3H3,(H,20,24)
InChIKeyHAYSITAQWLZUTP-UHFFFAOYSA-N
XLogP2.75
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide 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-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356434
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-(oxolan-2-ylmethyl)acetamide
CID 18160313
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24550661
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 27760714
N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 51273944
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 55637109
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 46410529
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825769
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 24610608
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 55722123
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 55695000
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 24538405

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide (CID 86825790) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide is Cc1ncc(CNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)s1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide?
The InChIKey is HAYSITAQWLZUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-16(12(2)22(21-11)14-7-5-4-6-8-14)17(23)18(24)20-10-15-9-19-13(3)25-15/h4-9H,10H2,1-3H3,(H,20,24).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide has a molecular weight of 354.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide is sourced from PubChem (CID 86825790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).