2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide

C12H21N3O3 — CID 91785892

IUPAC2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)COCCOC)c1ccnn1C
InChIInChI=1S/C12H21N3O3/c1-4-10(11-5-6-13-15(11)2)14-12(16)9-18-8-7-17-3/h5-6,10H,4,7-9H2,1-3H3,(H,14,16)
InChIKeyNDTIRSBSVUGMBN-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.65
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide

2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide (PubChem CID 91785892) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
PubChem CID91785892
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)COCCOC)c1ccnn1C
InChIInChI=1S/C12H21N3O3/c1-4-10(11-5-6-13-15(11)2)14-12(16)9-18-8-7-17-3/h5-6,10H,4,7-9H2,1-3H3,(H,14,16)
InChIKeyNDTIRSBSVUGMBN-UHFFFAOYSA-N
XLogP0.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide (CID 91785892) is 2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide is CCC(NC(=O)COCCOC)c1ccnn1C.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The InChIKey is NDTIRSBSVUGMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-10(11-5-6-13-15(11)2)14-12(16)9-18-8-7-17-3/h5-6,10H,4,7-9H2,1-3H3,(H,14,16).
What are the key properties of 2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide has a molecular weight of 255.32 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide is sourced from PubChem (CID 91785892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).