N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide

C19H26N4O2 — CID 53370533

IUPACN-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide
SMILESCc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H26N4O2/c1-12(2)11-23-15(5)17(14(4)22-23)21-19(25)18(24)20-13(3)16-9-7-6-8-10-16/h6-10,12-13H,11H2,1-5H3,(H,20,24)(H,21,25)
InChIKeyZEKXRMRZBUVLJS-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.97
Rot. Bonds5

About N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide

N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide (PubChem CID 53370533) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide
PubChem CID53370533
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide
SMILESCc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H26N4O2/c1-12(2)11-23-15(5)17(14(4)22-23)21-19(25)18(24)20-13(3)16-9-7-6-8-10-16/h6-10,12-13H,11H2,1-5H3,(H,20,24)(H,21,25)
InChIKeyZEKXRMRZBUVLJS-UHFFFAOYSA-N
XLogP2.97
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)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

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylethyl)acetamide
CID 46652170
N'-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 51819593
(2R)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-phenylacetic acid
CID 119367917
(2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938375
(2R)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938376
(2R)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-phenylacetamide
CID 40895953
N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide
CID 44997308
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 9402765
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 84962872
2-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-2-oxoacetic acid
CID 4774461
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 134012980

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide (CID 53370533) is N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide is Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NC(C)c1ccccc1.
What is the InChIKey of N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide?
The InChIKey is ZEKXRMRZBUVLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)11-23-15(5)17(14(4)22-23)21-19(25)18(24)20-13(3)16-9-7-6-8-10-16/h6-10,12-13H,11H2,1-5H3,(H,20,24)(H,21,25).
What are the key properties of N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide?
N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide has a molecular weight of 342.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 53370533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).