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

C17H23N3O — CID 19536949

IUPACN-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide
SMILESCCC(NC(=O)C(C)n1ccc(C)n1)c1ccc(C)cc1
InChIInChI=1S/C17H23N3O/c1-5-16(15-8-6-12(2)7-9-15)18-17(21)14(4)20-11-10-13(3)19-20/h6-11,14,16H,5H2,1-4H3,(H,18,21)
InChIKeyPIRODSNYAYRFOU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.33
Rot. Bonds5

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

N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19536949) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide
PubChem CID19536949
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide
SMILESCCC(NC(=O)C(C)n1ccc(C)n1)c1ccc(C)cc1
InChIInChI=1S/C17H23N3O/c1-5-16(15-8-6-12(2)7-9-15)18-17(21)14(4)20-11-10-13(3)19-20/h6-11,14,16H,5H2,1-4H3,(H,18,21)
InChIKeyPIRODSNYAYRFOU-UHFFFAOYSA-N
XLogP3.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19536946
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19516870
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 19537869
N-[1-(4-methylphenyl)propyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555806
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19533983
2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 19538791
2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19533979
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477
2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide
CID 112766085

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide (CID 19536949) is N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide is CCC(NC(=O)C(C)n1ccc(C)n1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is PIRODSNYAYRFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-16(15-8-6-12(2)7-9-15)18-17(21)14(4)20-11-10-13(3)19-20/h6-11,14,16H,5H2,1-4H3,(H,18,21).
What are the key properties of N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide?
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 285.39 g/mol, XLogP of 3.33, 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)propanamide is sourced from PubChem (CID 19536949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).