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

C10H18N4O2 — CID 106105100

IUPAC2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
SMILESCn1ccc(CCNC(=O)COCCN)n1
InChIInChI=1S/C10H18N4O2/c1-14-6-3-9(13-14)2-5-12-10(15)8-16-7-4-11/h3,6H,2,4-5,7-8,11H2,1H3,(H,12,15)
InChIKeyIQMVSIUUYJHSFE-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.95
Rot. Bonds7

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

2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide (PubChem CID 106105100) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
PubChem CID106105100
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
SMILESCn1ccc(CCNC(=O)COCCN)n1
InChIInChI=1S/C10H18N4O2/c1-14-6-3-9(13-14)2-5-12-10(15)8-16-7-4-11/h3,6H,2,4-5,7-8,11H2,1H3,(H,12,15)
InChIKeyIQMVSIUUYJHSFE-UHFFFAOYSA-N
XLogP-0.95
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.95
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-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
2-(2-methoxyethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105035
4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143984
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
3-amino-4,4-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143974
(3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
CID 106104964
2-(1-aminocyclobutyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106104898
(2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide
CID 106105015
(2S)-2-amino-3-methyl-N-[2-[2-(1-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 106105106
4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106104900
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide
CID 114143955

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide (CID 106105100) is 2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide is Cn1ccc(CCNC(=O)COCCN)n1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
The InChIKey is IQMVSIUUYJHSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-14-6-3-9(13-14)2-5-12-10(15)8-16-7-4-11/h3,6H,2,4-5,7-8,11H2,1H3,(H,12,15).
What are the key properties of 2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide has a molecular weight of 226.28 g/mol, XLogP of -0.95, 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-[2-(1-methylpyrazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 106105100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).