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

C11H19N3O2 — CID 43418241

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
SMILESCc1cc(C)n(CCC(=O)NCC(C)O)n1
InChIInChI=1S/C11H19N3O2/c1-8-6-9(2)14(13-8)5-4-11(16)12-7-10(3)15/h6,10,15H,4-5,7H2,1-3H3,(H,12,16)
InChIKeyYJIQSOZCVJIEMH-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.39
Rot. Bonds5

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

3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide (PubChem CID 43418241) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
PubChem CID43418241
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
SMILESCc1cc(C)n(CCC(=O)NCC(C)O)n1
InChIInChI=1S/C11H19N3O2/c1-8-6-9(2)14(13-8)5-4-11(16)12-7-10(3)15/h6,10,15H,4-5,7H2,1-3H3,(H,12,16)
InChIKeyYJIQSOZCVJIEMH-UHFFFAOYSA-N
XLogP0.39
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 69148477
methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791
2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 43357762
N-(2-aminopropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63733136
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037208
4-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001106
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide
CID 114536632
1-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445107
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 80999522
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide (CID 43418241) is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide is Cc1cc(C)n(CCC(=O)NCC(C)O)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide?
The InChIKey is YJIQSOZCVJIEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-6-9(2)14(13-8)5-4-11(16)12-7-10(3)15/h6,10,15H,4-5,7H2,1-3H3,(H,12,16).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide has a molecular weight of 225.29 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide is sourced from PubChem (CID 43418241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).