N-ethoxy-2-pyrazol-1-ylacetamide

C7H11N3O2 — CID 60700858

IUPACN-ethoxy-2-pyrazol-1-ylacetamide
SMILESCCONC(=O)Cn1cccn1
InChIInChI=1S/C7H11N3O2/c1-2-12-9-7(11)6-10-5-3-4-8-10/h3-5H,2,6H2,1H3,(H,9,11)
InChIKeyMNHUXRBZDLCXIT-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.05
Rot. Bonds4

About N-ethoxy-2-pyrazol-1-ylacetamide

N-ethoxy-2-pyrazol-1-ylacetamide (PubChem CID 60700858) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-ethoxy-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-ethoxy-2-pyrazol-1-ylacetamide
PubChem CID60700858
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-ethoxy-2-pyrazol-1-ylacetamide
SMILESCCONC(=O)Cn1cccn1
InChIInChI=1S/C7H11N3O2/c1-2-12-9-7(11)6-10-5-3-4-8-10/h3-5H,2,6H2,1H3,(H,9,11)
InChIKeyMNHUXRBZDLCXIT-UHFFFAOYSA-N
XLogP-0.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-pyrazol-1-ylacetamide
CID 63889355
amino 2-pyrazol-1-ylacetate
CID 175809673
ethyl 4-oxo-5-pyrazol-1-ylpentanoate
CID 103484644
ethane;1-pyrazol-1-ylpropan-2-one
CID 143096298
2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 79806989
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-pyrazol-1-ylacetamide
CID 122356086
2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
CID 81367964
2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 79792060
2-pyrazol-1-yl-N-(2-sulfamoylethyl)acetamide
CID 61066533
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide
CID 79252208
ethyl 2-bromo-3-pyrazol-1-ylpropanoate
CID 134975467
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-pyrazol-1-ylacetamide?
The IUPAC name of N-ethoxy-2-pyrazol-1-ylacetamide (CID 60700858) is N-ethoxy-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-ethoxy-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-ethoxy-2-pyrazol-1-ylacetamide is CCONC(=O)Cn1cccn1.
What is the InChIKey of N-ethoxy-2-pyrazol-1-ylacetamide?
The InChIKey is MNHUXRBZDLCXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-12-9-7(11)6-10-5-3-4-8-10/h3-5H,2,6H2,1H3,(H,9,11).
What are the key properties of N-ethoxy-2-pyrazol-1-ylacetamide?
N-ethoxy-2-pyrazol-1-ylacetamide has a molecular weight of 169.18 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 60700858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).