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

(1-Ethylpyrazol-4-yl)methyl-triphenylphosphanium

HCID 23076403
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCn1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIKey
LDQVMUWIGIHMTK-UHFFFAOYSA-N
Molecular formula
C24H24N2P+
Average molar mass
371.4 g/mol

Names & identifiers

Preferred name
(1-Ethylpyrazol-4-yl)methyl-triphenylphosphanium
IUPAC
(1-ethylpyrazol-4-yl)methyl-triphenylphosphanium

Names & synonyms

SCHEMBL10188784

Database identifiers

PubChem CID
23076403

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
17.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
6
Heavy atoms
27
Formal charge
1
Complexity
390

Related reactions

2 records
New reaction record
HRID 112889 reaction equation
HRID 112889As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 135830 reaction equation
HRID 135830As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes