3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide

C10H15N3O2 — CID 102548376

IUPAC3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide
SMILESCn1cc(CCC(=O)NCC2CO2)cn1
InChIInChI=1S/C10H15N3O2/c1-13-6-8(4-12-13)2-3-10(14)11-5-9-7-15-9/h4,6,9H,2-3,5,7H2,1H3,(H,11,14)
InChIKeyADELGKIDPWGCAH-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.13
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide

3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide (PubChem CID 102548376) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide
PubChem CID102548376
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide
SMILESCn1cc(CCC(=O)NCC2CO2)cn1
InChIInChI=1S/C10H15N3O2/c1-13-6-8(4-12-13)2-3-10(14)11-5-9-7-15-9/h4,6,9H,2-3,5,7H2,1H3,(H,11,14)
InChIKeyADELGKIDPWGCAH-UHFFFAOYSA-N
XLogP-0.13
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 94609346
3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119513351
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
5-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119234671
N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 129369601
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 47466334
N,N'-bis(oxiran-2-ylmethyl)butanediamide
CID 175178142
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide
CID 131937123

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide (CID 102548376) is 3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide is Cn1cc(CCC(=O)NCC2CO2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide?
The InChIKey is ADELGKIDPWGCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-6-8(4-12-13)2-3-10(14)11-5-9-7-15-9/h4,6,9H,2-3,5,7H2,1H3,(H,11,14).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide?
3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide has a molecular weight of 209.25 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide is sourced from PubChem (CID 102548376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).