2-Methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
Basic information
- CAS
439107-66-1- Standard SMILES
Cc1ccc(-c2cnc3cc(C)nn3c2)cc1- InChIKey
VYLYYJIXPTYFRM-UHFFFAOYSA-N- Molecular formula
- C14H13N3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.11094743
Names & identifiers
- Preferred name
- 2-Methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
- IUPAC
- 2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
Names & synonyms
2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine439107-66-1MFCD03012178MLS000720542CHEMBL1303283SCHEMBL12611860DTXSID701322189HMS2710O14AKOS005090904SMR0003360452-methyl-6-(p-tolyl)pyrazolo[1,5-a]pyrimidine3T-0888
Database identifiers
- CAS
439107-66-1- PubChem CID
- 1474430
- DTXSID
DTXSID701322189- ChEMBL
CHEMBL1303283
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Experimental & physicochemical properties
Solubility2.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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