2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide

C10H18N4O2 — CID 106238366

IUPAC2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide
SMILESCn1cc(CCNCCOCC(N)=O)cn1
InChIInChI=1S/C10H18N4O2/c1-14-7-9(6-13-14)2-3-12-4-5-16-8-10(11)15/h6-7,12H,2-5,8H2,1H3,(H2,11,15)
InChIKeyKDKUJHKIZSZROU-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.95
Rot. Bonds8

About 2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide

2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide (PubChem CID 106238366) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide
PubChem CID106238366
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide
SMILESCn1cc(CCNCCOCC(N)=O)cn1
InChIInChI=1S/C10H18N4O2/c1-14-7-9(6-13-14)2-3-12-4-5-16-8-10(11)15/h6-7,12H,2-5,8H2,1H3,(H2,11,15)
InChIKeyKDKUJHKIZSZROU-UHFFFAOYSA-N
XLogP-0.95
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
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

ethyl 3-[2-(1-methylpyrazol-4-yl)ethylamino]propanoate
CID 80689143
N-(2-methoxyethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80689226
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide
CID 80683125
N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide
CID 80689002
N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide
CID 80683127
3-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]benzoic acid
CID 103258287
6-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]hexan-1-amine
CID 107844230
ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate
CID 83040611
N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62557013
ethyl (E)-4-[2-(1-methylpyrazol-4-yl)ethylamino]but-2-enoate
CID 80689070
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide (CID 106238366) is 2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide is Cn1cc(CCNCCOCC(N)=O)cn1.
What is the InChIKey of 2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide?
The InChIKey is KDKUJHKIZSZROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-14-7-9(6-13-14)2-3-12-4-5-16-8-10(11)15/h6-7,12H,2-5,8H2,1H3,(H2,11,15).
What are the key properties of 2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide?
2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide has a molecular weight of 226.28 g/mol, XLogP of -0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide is sourced from PubChem (CID 106238366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).