N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide

C15H19N3O — CID 19534180

IUPACN-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(C(C)C(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C15H19N3O/c1-10-6-5-7-14(12(10)3)16-15(19)13(4)18-9-8-11(2)17-18/h5-9,13H,1-4H3,(H,16,19)
InChIKeyNAJXLEDFXOTWNT-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.01
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide

N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19534180) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide
PubChem CID19534180
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(C(C)C(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C15H19N3O/c1-10-6-5-7-14(12(10)3)16-15(19)13(4)18-9-8-11(2)17-18/h5-9,13H,1-4H3,(H,16,19)
InChIKeyNAJXLEDFXOTWNT-UHFFFAOYSA-N
XLogP3.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 19533298
(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868310
N-(2,3-dimethylphenyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537151
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19534194
N-cyclopentyl-2-(3-methylpyrazol-1-yl)propanamide
CID 19534188
N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide
CID 43130569
N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19537149
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
(2R)-2-(3-methylpyrazol-1-yl)propanoate
CID 7018425
2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19536880
(2S)-N-(2,3-dimethylphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 92751490

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide (CID 19534180) is N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(C(C)C(=O)Nc2cccc(C)c2C)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is NAJXLEDFXOTWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-6-5-7-14(12(10)3)16-15(19)13(4)18-9-8-11(2)17-18/h5-9,13H,1-4H3,(H,16,19).
What are the key properties of N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide?
N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 257.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19534180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).