2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide

C9H15N3O3 — CID 22898686

IUPAC2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide
SMILESCOOCc1cc(NC(=O)C(C)C)n[nH]1
InChIInChI=1S/C9H15N3O3/c1-6(2)9(13)10-8-4-7(11-12-8)5-15-14-3/h4,6H,5H2,1-3H3,(H2,10,11,12,13)
InChIKeyCRAMGCUOUJNSNX-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.08
Rot. Bonds5

About 2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide

2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide (PubChem CID 22898686) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide
PubChem CID22898686
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide
SMILESCOOCc1cc(NC(=O)C(C)C)n[nH]1
InChIInChI=1S/C9H15N3O3/c1-6(2)9(13)10-8-4-7(11-12-8)5-15-14-3/h4,6H,5H2,1-3H3,(H2,10,11,12,13)
InChIKeyCRAMGCUOUJNSNX-UHFFFAOYSA-N
XLogP1.08
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 117099978
(2S)-2-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)pentanamide
CID 63823173
2-ethyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 63820066
2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide
CID 84583974
(2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
CID 95626076
(2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide
CID 104617946
2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide
CID 95968893
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-methoxyethoxy)acetamide
CID 104619698
2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate
CID 104620381
2-acetamido-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63819909
2-(carbamoylamino)-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pentanamide
CID 115633314
N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide
CID 47423292

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide (CID 22898686) is 2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide is COOCc1cc(NC(=O)C(C)C)n[nH]1.
What is the InChIKey of 2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide?
The InChIKey is CRAMGCUOUJNSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(2)9(13)10-8-4-7(11-12-8)5-15-14-3/h4,6H,5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide?
2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide has a molecular weight of 213.24 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(methylperoxymethyl)-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 22898686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).