HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2-(4-(1H-pyrazol-1-yl)phenyl)-N,2-dimethoxy-N-methylacetamide

HCID 58432016
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(C(=O)N(C)OC)c1ccc(-n2cccn2)cc1
InChIKey
ACEPHGFKTUBLOK-UHFFFAOYSA-N
Molecular formula
C14H17N3O3
Average molar mass
275.3 g/mol

Names & identifiers

Preferred name
2-(4-(1H-pyrazol-1-yl)phenyl)-N,2-dimethoxy-N-methylacetamide
IUPAC
N,2-dimethoxy-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide

Names & synonyms

SCHEMBL2388610ACEPHGFKTUBLOK-UHFFFAOYSA-N2-(4-(1H-pyrazol-1-yl)phenyl)-N,2-dimethoxy-N-methylacetamide

Database identifiers

PubChem CID
58432016

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
56.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
319

Related reactions

12 records
New reaction record
HRID 56498 reaction equation
HRID 56498As productuspto-grants-2016_09
HRID 56499 reaction equation
HRID 56499As reactantuspto-grants-2016_09
HRID 56502 reaction equation
HRID 56502As reactantuspto-grants-2016_09
HRID 512597 reaction equation
HRID 512597As productuspto-grants-2015_08
HRID 512598 reaction equation
HRID 512598As reactantuspto-grants-2015_08
HRID 512601 reaction equation
HRID 512601As reactantuspto-grants-2015_08
HRID 1228283 reaction equation
HRID 1228283As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1798567 reaction equation
HRID 1798567As productuspto-grants-2013_01
Page 1 of 2

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes