2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide

C16H21N3O2 — CID 75391584

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide
SMILESCCc1ccc(O)c(NC(=O)C(C)n2nc(C)cc2C)c1
InChIInChI=1S/C16H21N3O2/c1-5-13-6-7-15(20)14(9-13)17-16(21)12(4)19-11(3)8-10(2)18-19/h6-9,12,20H,5H2,1-4H3,(H,17,21)
InChIKeyILIGCDCKEDRTCC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.97
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide

2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide (PubChem CID 75391584) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide
PubChem CID75391584
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide
SMILESCCc1ccc(O)c(NC(=O)C(C)n2nc(C)cc2C)c1
InChIInChI=1S/C16H21N3O2/c1-5-13-6-7-15(20)14(9-13)17-16(21)12(4)19-11(3)8-10(2)18-19/h6-9,12,20H,5H2,1-4H3,(H,17,21)
InChIKeyILIGCDCKEDRTCC-UHFFFAOYSA-N
XLogP2.97
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride
CID 119422814
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 95623384
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 131935802
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 71987142
(2S)-N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 92627254
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methylpentanoic acid
CID 91645223
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472022
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 19539387

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide (CID 75391584) is 2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide is CCc1ccc(O)c(NC(=O)C(C)n2nc(C)cc2C)c1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide?
The InChIKey is ILIGCDCKEDRTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-13-6-7-15(20)14(9-13)17-16(21)12(4)19-11(3)8-10(2)18-19/h6-9,12,20H,5H2,1-4H3,(H,17,21).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide is sourced from PubChem (CID 75391584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).