2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide

C11H19N3O3 — CID 114115113

IUPAC2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide
SMILESCOCCOCC(=O)Nc1ccn(C(C)C)n1
InChIInChI=1S/C11H19N3O3/c1-9(2)14-5-4-10(13-14)12-11(15)8-17-7-6-16-3/h4-5,9H,6-8H2,1-3H3,(H,12,13,15)
InChIKeySILWEOHJXMJQBR-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.07
Rot. Bonds7

About 2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide

2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 114115113) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID114115113
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide
SMILESCOCCOCC(=O)Nc1ccn(C(C)C)n1
InChIInChI=1S/C11H19N3O3/c1-9(2)14-5-4-10(13-14)12-11(15)8-17-7-6-16-3/h4-5,9H,6-8H2,1-3H3,(H,12,13,15)
InChIKeySILWEOHJXMJQBR-UHFFFAOYSA-N
XLogP1.07
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethoxy)-3-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
CID 114252109
2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide
CID 130495798
4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid
CID 129470308
2-(2-methoxyethoxy)-N-(1,2-oxazol-3-yl)acetamide
CID 103895196
phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate
CID 59394412
2-[(1-propan-2-ylpyrazol-3-yl)amino]acetic acid
CID 130495843
N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 114032037
3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide
CID 114252199
(2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid
CID 114251144
2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 91790838
N-[4-(1-aminoethyl)phenyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119625634
N,1-di(propan-2-yl)pyrazol-3-amine;ethane
CID 169238022

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide (CID 114115113) is 2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide is COCCOCC(=O)Nc1ccn(C(C)C)n1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is SILWEOHJXMJQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-9(2)14-5-4-10(13-14)12-11(15)8-17-7-6-16-3/h4-5,9H,6-8H2,1-3H3,(H,12,13,15).
What are the key properties of 2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide?
2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 241.29 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 114115113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).