2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide

C13H24N4O2 — CID 82702691

IUPAC2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCCc1nn(C(C)C(=O)NCCOC)c(CC)c1N
InChIInChI=1S/C13H24N4O2/c1-5-10-12(14)11(6-2)17(16-10)9(3)13(18)15-7-8-19-4/h9H,5-8,14H2,1-4H3,(H,15,18)
InChIKeyGSTXEZZROCICBL-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.91
Rot. Bonds7

About 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide

2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 82702691) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide
PubChem CID82702691
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCCc1nn(C(C)C(=O)NCCOC)c(CC)c1N
InChIInChI=1S/C13H24N4O2/c1-5-10-12(14)11(6-2)17(16-10)9(3)13(18)15-7-8-19-4/h9H,5-8,14H2,1-4H3,(H,15,18)
InChIKeyGSTXEZZROCICBL-UHFFFAOYSA-N
XLogP0.91
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
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-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide (CID 82702691) is 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide is CCc1nn(C(C)C(=O)NCCOC)c(CC)c1N.
What is the InChIKey of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is GSTXEZZROCICBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-10-12(14)11(6-2)17(16-10)9(3)13(18)15-7-8-19-4/h9H,5-8,14H2,1-4H3,(H,15,18).
What are the key properties of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide?
2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 268.36 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 82702691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).