N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide

C11H19N3O2 — CID 35284416

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCn1nc(C)cc1C
InChIInChI=1S/C11H19N3O2/c1-9-7-10(2)14(13-9)6-4-5-12-11(15)8-16-3/h7H,4-6,8H2,1-3H3,(H,12,15)
InChIKeyOENBKESSNFLRBD-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.65
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide (PubChem CID 35284416) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide
PubChem CID35284416
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCn1nc(C)cc1C
InChIInChI=1S/C11H19N3O2/c1-9-7-10(2)14(13-9)6-4-5-12-11(15)8-16-3/h7H,4-6,8H2,1-3H3,(H,12,15)
InChIKeyOENBKESSNFLRBD-UHFFFAOYSA-N
XLogP0.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide (CID 35284416) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide is COCC(=O)NCCCn1nc(C)cc1C.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide?
The InChIKey is OENBKESSNFLRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-7-10(2)14(13-9)6-4-5-12-11(15)8-16-3/h7H,4-6,8H2,1-3H3,(H,12,15).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide has a molecular weight of 225.29 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxyacetamide is sourced from PubChem (CID 35284416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).