N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide

C16H21N3O — CID 19516870

IUPACN-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCCC(NC(=O)Cn1ccc(C)n1)c1ccc(C)cc1
InChIInChI=1S/C16H21N3O/c1-4-15(14-7-5-12(2)6-8-14)17-16(20)11-19-10-9-13(3)18-19/h5-10,15H,4,11H2,1-3H3,(H,17,20)
InChIKeyJDJHIEWSUOFKKD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.77
Rot. Bonds5

About N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide

N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 19516870) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID19516870
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCCC(NC(=O)Cn1ccc(C)n1)c1ccc(C)cc1
InChIInChI=1S/C16H21N3O/c1-4-15(14-7-5-12(2)6-8-14)17-16(20)11-19-10-9-13(3)18-19/h5-10,15H,4,11H2,1-3H3,(H,17,20)
InChIKeyJDJHIEWSUOFKKD-UHFFFAOYSA-N
XLogP2.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)propyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555806
2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 19584605
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536949
1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid
CID 29089973
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465586
N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465585
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 19525503
N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 125446316
ethyl (2R)-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-3-sulfanylpropanoate
CID 19516858
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 7977562
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639
N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9297441

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide (CID 19516870) is N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide is CCC(NC(=O)Cn1ccc(C)n1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is JDJHIEWSUOFKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-15(14-7-5-12(2)6-8-14)17-16(20)11-19-10-9-13(3)18-19/h5-10,15H,4,11H2,1-3H3,(H,17,20).
What are the key properties of N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19516870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).