N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide

C15H20N4O — CID 16786199

IUPACN-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2cc(N)ccc2C)n1
InChIInChI=1S/C15H20N4O/c1-10-4-5-13(16)9-14(10)17-15(20)6-7-19-12(3)8-11(2)18-19/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,20)
InChIKeyXDFYJPMVILUUMS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.42
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 16786199) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID16786199
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2cc(N)ccc2C)n1
InChIInChI=1S/C15H20N4O/c1-10-4-5-13(16)9-14(10)17-15(20)6-7-19-12(3)8-11(2)18-19/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,20)
InChIKeyXDFYJPMVILUUMS-UHFFFAOYSA-N
XLogP2.42
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 61225930
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 28540908
N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
CID 62921618
N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
CID 43447503
N-(1,5-dimethylpyrazol-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557477
N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81099067
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 16794289
N-(2,5-dimethylphenyl)-3-[[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide
CID 95144262
N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide
CID 95144263

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 16786199) is N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)Nc2cc(N)ccc2C)n1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is XDFYJPMVILUUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-4-5-13(16)9-14(10)17-15(20)6-7-19-12(3)8-11(2)18-19/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,20).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 16786199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).