HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

2-Chloro-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-1-propanone

HCID 21585751
New noteNew reactionRequest quotes
Print preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(Cl)C(=O)c1c(C(C)C)nn2ccccc12
InChIKey
VWSIWZSTGUBASV-UHFFFAOYSA-N
Molecular formula
C13H15ClN2O
Average molar mass
250.72 g/mol
Monoisotopic mass
250.0872908

Names & identifiers

Preferred name
2-Chloro-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-1-propanone
IUPAC
2-chloro-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one

Names & synonyms

960355-08-22-Chloro-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-1-propanone2-?Chloro-?1-?[2-?(1-?methylethyl)?pyrazolo[1,?5-?a]?pyridin-?3-?yl]?-1-propanoneSCHEMBL653193VWSIWZSTGUBASV-UHFFFAOYSA-N2-chloro-1-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one2-chloro-1-(2-isopropylpyrazolo[1,5-alpha]pyridin-3-yl)propan-1-one

Database identifiers

PubChem CID
21585751

Properties

Computed structural propertiesFilling in

XLogP
2.9
Topological polar surface area
34.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
295

Related reactions

20 records
New reaction record
HRID 160488 reaction equation
HRID 160488As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 161709 reaction equation
HRID 161709As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 176132 reaction equation
HRID 176132As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 213352 reaction equation
HRID 213352As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 306829 reaction equation
HRID 306829As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 731713 reaction equation
HRID 731713As reactantuspto-grants-2009_09
HRID 731714 reaction equation
HRID 731714As reactantuspto-grants-2009_09
HRID 731715 reaction equation
HRID 731715As reactantuspto-grants-2009_09
Page 1 of 3

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes