2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide

C14H17N3O — CID 47406603

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
SMILESCc1cc(C)n(C(C)C(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-10-9-11(2)17(16-10)12(3)14(18)15-13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H,15,18)
InChIKeyWXBXBMYLDWUODF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.70
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide

2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide (PubChem CID 47406603) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
PubChem CID47406603
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
SMILESCc1cc(C)n(C(C)C(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-10-9-11(2)17(16-10)12(3)14(18)15-13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H,15,18)
InChIKeyWXBXBMYLDWUODF-UHFFFAOYSA-N
XLogP2.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 95623384
N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride
CID 119422814
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 56787187
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472022
(2S)-N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 92627254
N-[2-(benzenesulfinyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 56787038
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 92627252
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 90517991
N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539324

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide (CID 47406603) is 2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide is Cc1cc(C)n(C(C)C(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide?
The InChIKey is WXBXBMYLDWUODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-9-11(2)17(16-10)12(3)14(18)15-13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H,15,18).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide has a molecular weight of 243.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 47406603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).