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

C8H13N3O2 — CID 131134395

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
SMILESCc1cc(C)n(C(C)C(=O)NO)n1
InChIInChI=1S/C8H13N3O2/c1-5-4-6(2)11(9-5)7(3)8(12)10-13/h4,7,13H,1-3H3,(H,10,12)
InChIKeyGASWJUPHYKKLLF-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.57
Rot. Bonds2

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

2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide (PubChem CID 131134395) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
PubChem CID131134395
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
SMILESCc1cc(C)n(C(C)C(=O)NO)n1
InChIInChI=1S/C8H13N3O2/c1-5-4-6(2)11(9-5)7(3)8(12)10-13/h4,7,13H,1-3H3,(H,10,12)
InChIKeyGASWJUPHYKKLLF-UHFFFAOYSA-N
XLogP0.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methylpentanoic acid
CID 91645223
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 95623384
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 111446024
N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride
CID 119422814
N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 71987142
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472022
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide
CID 124849946
N-[2-(benzenesulfinyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 56787038
N-[1-(2,4-difluorophenyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 47992538

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide (CID 131134395) is 2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide is Cc1cc(C)n(C(C)C(=O)NO)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide?
The InChIKey is GASWJUPHYKKLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-4-6(2)11(9-5)7(3)8(12)10-13/h4,7,13H,1-3H3,(H,10,12).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide has a molecular weight of 183.21 g/mol, XLogP of 0.57, 2 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-hydroxypropanamide is sourced from PubChem (CID 131134395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).