1-[(4-Chloro-3-methylphenoxy)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
Basic information
- CAS
956394-35-7- Standard SMILES
Cc1cc(OCn2nc(C)c(N)c2C)ccc1Cl- InChIKey
NXNRBAPYAGRIGW-UHFFFAOYSA-N- Molecular formula
- C13H16ClN3O
- Average molar mass
- 265.74 g/mol
- Monoisotopic mass
- 265.0981898
Names & identifiers
- Preferred name
- 1-[(4-Chloro-3-methylphenoxy)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
- IUPAC
- 1-[(4-chloro-3-methylphenoxy)methyl]-3,5-dimethylpyrazol-4-amine
- English name
- 1-(4-Chloro-3-methyl-phenoxymethyl)-3,5-dimethyl-1H-pyrazol-4-ylamine
- Molecular formula
- C13H16ClN3O
- Molecular weight
- 265.74
Names & synonyms
956394-35-71-[(4-chloro-3-methylphenoxy)methyl]-3,5-dimethyl-1H-pyrazol-4-amine1-((4-chloro-3-methylphenoxy)methyl)-3,5-dimethyl-1h-pyrazol-4-amineRefChem:222115MFCD049676921-[(4-chloro-3-methylphenoxy)methyl]-3,5-dimethylpyrazol-4-amine1-[(4-chloro-3-methylphenoxy)methyl]-3,5-dimethylpyrazole-4-ylamineDTXSID801159438GNB39435SBB021461STK2637041-(4-Chloro-3-methyl-phenoxymethyl)-3,5-dimethyl-1H-pyrazol-4-ylamine
Show more names
AKOS B016630ART-CHEM-BB B016630
AKOS000306253ST065589VS-05036CS-0240576EN300-2291251-(4-chloro-3-methylphenoxymethyl)-3,5-dimethyl-1h-pyrazol-4-amine1-(4-Chloro-3-methyl-phenoxymethyl)-3,5-dimethyl-1 H -pyrazol-4-ylamine1-[(4-chloro-3-methyl-phenoxy)methyl]-3,5-dimethyl-pyrazol-4-amine
Database identifiers
- CAS
956394-35-7- PubChem CID
- 7017261
- DTXSID
DTXSID801159438
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
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Compound notes
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