1-(3-methoxybenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
Basic information
- CAS
1001519-29-4- Standard SMILES
COc1cccc(Cn2nc(C)c(N)c2C)c1- InChIKey
GPRGFWHPNSBRDW-UHFFFAOYSA-N- Molecular formula
- C13H17N3O
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.13716217
Names & identifiers
- Preferred name
- 1-(3-methoxybenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
- IUPAC
- 1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine
- English name
- 1-(3-Methoxy-benzyl)-3,5-dimethyl-1H-pyrazol-4-ylamine
- Molecular formula
- C13H17N3O
- Molecular weight
- 231.29
Names & synonyms
1-(3-methoxybenzyl)-3,5-dimethyl-1H-pyrazol-4-amine1001519-29-41-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1h-pyrazol-4-amine1-(3-Methoxy-benzyl)-3,5-dimethyl-1H-pyrazol-4-ylamine1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-ylamineSCHEMBL16832122DTXSID601190989SBB020891STK312678AKOS000220410DB-420589CS-0282725
Show more names
AKOS B014401ART-CHEM-BB B014401
ST45091784EN300-228681
Database identifiers
- CAS
1001519-29-4- PubChem CID
- 7019297
- DTXSID
DTXSID601190989
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
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