Basic information
- CAS
37585-42-5- Standard SMILES
O=c1c(CN2CCCCC2)c(Cl)n(-c2ccccc2)n1-c1ccccc1- InChIKey
BARXHCDTIRFAEV-UHFFFAOYSA-N- Molecular formula
- C21H22ClN3O
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.14514
Names & identifiers
- Preferred name
- 3-Pyrazolin-5-one, 3-chloro-1,2-diphenyl-4-(piperidinomethyl)-
- IUPAC
- 5-chloro-1,2-diphenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one
- English name
- 3-Pyrazolin-5-one, 3-chloro-1,2-diphenyl-4-(piperidinomethyl)-
- Molecular weight
- 0
Names & synonyms
37585-42-5BRN 07041973-Pyrazolin-5-one, 3-chloro-1,2-diphenyl-4-(piperidinomethyl)-3-Chloro-1,2-diphenyl-4-(piperidinomethyl)-3-pyrazolin-5-one3-Chloro-4-piperidinomethyl-1,2-diphenyl-5-pyrazoloneDTXSID301910165-25-14-00170 (Beilstein Handbook Reference)3H-Pyrazol-3-one, 5-chloro-1,2-dihydro-1,2-diphenyl-4-(1-piperidinylmethyl)-RefChem:281984DTXCID401135075-Chloro-1,2-diphenyl-4-(piperidin-1-ylmethyl)-1H-pyrazol-3(2H)-one5-Chloro-1,2-diphenyl-4-(1-piperidinylmethyl)-1,2-dihydro-3H-pyrazol-3-one
Show more names
5-Chloro-1,2-diphenyl-4-[(piperidin-1-yl)methyl]-1,2-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
37585-42-5- PubChem CID
- 216672
- DTXSID
DTXSID30191016
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 531
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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