1-[(3,4-Dichlorophenyl)methyl]-1H-pyrazol-4-amine
Basic information
- CAS
895929-62-1- Standard SMILES
Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1- InChIKey
ZKDGSECMKLUWRL-UHFFFAOYSA-N- Molecular formula
- C10H9Cl2N3
- Average molar mass
- 242.1 g/mol
- Monoisotopic mass
- 241.0173527
Names & identifiers
- Preferred name
- 1-[(3,4-Dichlorophenyl)methyl]-1H-pyrazol-4-amine
- IUPAC
- 1-[(3,4-dichlorophenyl)methyl]pyrazol-4-amine
- English name
- 1-(3,4-Dichloro-benzyl)-1H-pyrazol-4-ylamine
- Molecular formula
- C10H9Cl2N3
- Molecular weight
- 242.1
Names & synonyms
895929-62-11-[(3,4-dichlorophenyl)methyl]-1h-pyrazol-4-amine1-((3,4-Dichlorophenyl)methyl)-1H-pyrazol-4-amineRefChem:2220611-(3,4-dichlorobenzyl)-1H-pyrazol-4-amine1-[(3,4-dichlorophenyl)methyl]pyrazol-4-amineMFCD020563821-[(3,4-dichlorophenyl)methyl]pyrazole-4-ylamine1-(3,4-Dichlorobenzyl)-1H-pyrazol-4-ylamineOprea1_791508SCHEMBL3612964DTXSID501230772
Show more names
AKOS B006592TIMTEC-BB SBB009259ART-CHEM-BB B014352ART-CHEM-BB B006592ASINEX-REAG BAS 135201211-(3,4-Dichloro-benzyl)-1H-pyrazol-4-ylamine1H-Pyrazol-4-amine, 1-[(3,4-dichlorophenyl)methyl]-
SBB009259STK348972AKOS000302547DA-31301ST073706WS-011851-(34-Dichlorobenzyl)-1H-pyrazol-4-amineCS-0356714
Database identifiers
- CAS
895929-62-1- PubChem CID
- 594501
- DTXSID
DTXSID501230772
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 427.2 · 427.2±40.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 3.36 · 3.36±0.11(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses1-(3,4-Dichloro-benzyl)-1H-pyrazol-4-ylamine can be prepared as SCD inhibitors for therapeutic agents.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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