2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide

C11H20N4O2 — CID 112669329

IUPAC2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
SMILESCCc1nn(C)cc1CNC(=O)COCCN
InChIInChI=1S/C11H20N4O2/c1-3-10-9(7-15(2)14-10)6-13-11(16)8-17-5-4-12/h7H,3-6,8,12H2,1-2H3,(H,13,16)
InChIKeyFQSRHJNBDQXSLP-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.43
Rot. Bonds7

About 2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide

2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 112669329) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID112669329
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
SMILESCCc1nn(C)cc1CNC(=O)COCCN
InChIInChI=1S/C11H20N4O2/c1-3-10-9(7-15(2)14-10)6-13-11(16)8-17-5-4-12/h7H,3-6,8,12H2,1-2H3,(H,13,16)
InChIKeyFQSRHJNBDQXSLP-UHFFFAOYSA-N
XLogP-0.43
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.43
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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Related Compounds

2-(4-aminophenoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 115988923
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705685
1-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 112668695
5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
CID 112668369
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669267
tert-butyl 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-oxobutanoate
CID 106707672
2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669166
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361
4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988977
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 112669353
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 113347469

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide (CID 112669329) is 2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide is CCc1nn(C)cc1CNC(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is FQSRHJNBDQXSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-10-9(7-15(2)14-10)6-13-11(16)8-17-5-4-12/h7H,3-6,8,12H2,1-2H3,(H,13,16).
What are the key properties of 2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide?
2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 240.31 g/mol, XLogP of -0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 112669329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).