Basic information
- CAS
514800-76-1- Standard SMILES
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1N- InChIKey
STOVJCULYZBBCG-UHFFFAOYSA-N- Molecular formula
- C12H13Cl2N3
- Average molar mass
- 270.15 g/mol
- Monoisotopic mass
- 269.0486528
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
- IUPAC
- 1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
- English name
- 1-(3,4-Dichloro-benzyl)-3,5-dimethyl-1H-pyrazol-4-ylamine
- Molecular formula
- C12H13Cl2N3
- Molecular weight
- 270.16
Names & synonyms
1-(3,4-Dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine514800-76-11-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-amineMFCD020556211-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1h-pyrazol-4-amine1-(3,4-Dichloro-benzyl)-3,5-dimethyl-1H-pyrazol-4-ylamineOprea1_469497SCHEMBL21523724DTXSID70336742STOVJCULYZBBCG-UHFFFAOYSA-N1-[(3,4-Dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-amineALBB-002154
Show more names
AKOS B000440AKOS PAO-1226ART-CHEM-BB B0004401H-Pyrazol-4-amine, 1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-
SBB019558STK346760AKOS000304092LS-01164CS-0282709EN300-227665H21978Pyrazol-4-amine, 1-(3,4-dichlorobenzyl)-3,5-dimethyl-
Database identifiers
- CAS
514800-76-1
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- 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
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…