4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
Basic information
- CAS
156336-70-8- Standard SMILES
Clc1ccc(-c2cc(C3CCNCC3)[nH]n2)cc1- InChIKey
GELALLNTKKLQLM-UHFFFAOYSA-N- Molecular formula
- C14H16ClN3
- Average molar mass
- 261.75 g/mol
- Monoisotopic mass
- 261.1032752
Names & identifiers
- Preferred name
- 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
- IUPAC
- 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
- English name
- 4-[5-(4-Chlorophenyl)-1H-pyrazol-3-yl]piperidine
- Molecular formula
- C14H16ClN3
- Molecular weight
- 261.75
Names & synonyms
156336-70-84-(5-(4-chlorophenyl)-1H-pyrazol-3-yl)piperidine4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidine4-(3-(4-Chlorophenyl)-1H-pyrazol-5-yl)piperidinePiperidine, 4-(5-(4-chlorophenyl)-1H-pyrazol-3-yl)-Piperidine, 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-RefChem:97116MFCD006650843M2B2SQW0ICHEMBL756911way
Show more names
Bionet2_000947UNII-3M2B2SQW0IOprea1_423246L02MLS000706783SCHEMBL2598428SCHEMBL2755249GELALLNTKKLQLM-UHFFFAOYSA-N
Database identifiers
- CAS
156336-70-8- PubChem CID
- 449126
- DTXSID
DTXSID301381947- ChEMBL
CHEMBL75691- UNII
- 3M2B2SQW0I
- Nikkaji
- J865.058F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 260
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- White to off-white Solid
- FDA UNII
- 3 M2B2SQW0I · 3M2B2SQW0I
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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