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

5-chloromethyl-1-methyl-3-(4-trifluoromethoxy-phenyl)-1H-pyrazole

HCID 67402155
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1nc(-c2ccc(OC(F)(F)F)cc2)cc1CCl
InChIKey
DECAVQGVPOHSEA-UHFFFAOYSA-N
Molecular formula
C12H10ClF3N2O
Average molar mass
290.67 g/mol

Names & identifiers

Preferred name
5-chloromethyl-1-methyl-3-(4-trifluoromethoxy-phenyl)-1H-pyrazole
IUPAC
5-(chloromethyl)-1-methyl-3-[4-(trifluoromethoxy)phenyl]pyrazole

Names & synonyms

5-chloromethyl-1-methyl-3-(4-trifluoromethoxy-phenyl)-1H-pyrazoleSCHEMBL2422616

Database identifiers

PubChem CID
67402155

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
27.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
295

Related reactions

6 records
New reaction record
HRID 285124 reaction equation
HRID 285124As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 288393 reaction equation
HRID 288393As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 915464 reaction equation
HRID 915464As productuspto-grants-2007_09
HRID 915465 reaction equation
HRID 915465As reactantuspto-grants-2007_09
HRID 915470 reaction equation
HRID 915470As reactantuspto-grants-2007_09
HRID 1211636 reaction equation
HRID 1211636As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes