2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide

C12H22N4O2 — CID 79280661

IUPAC2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
SMILESCOCCNCC(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C12H22N4O2/c1-10-11(8-15-16-10)4-3-5-14-12(17)9-13-6-7-18-2/h8,13H,3-7,9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyKDQHBZIAQTYMHE-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.00
Rot. Bonds9

About 2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide

2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide (PubChem CID 79280661) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
PubChem CID79280661
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
SMILESCOCCNCC(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C12H22N4O2/c1-10-11(8-15-16-10)4-3-5-14-12(17)9-13-6-7-18-2/h8,13H,3-7,9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyKDQHBZIAQTYMHE-UHFFFAOYSA-N
XLogP0.00
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.00
H-Bond Donors ≤ 53
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 2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide (CID 79280661) is 2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide is COCCNCC(=O)NCCCc1cn[nH]c1C.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The InChIKey is KDQHBZIAQTYMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-10-11(8-15-16-10)4-3-5-14-12(17)9-13-6-7-18-2/h8,13H,3-7,9H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.00, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide is sourced from PubChem (CID 79280661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).