2-(3-Bromophenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidine
Basic information
- CAS
296244-20-7- Standard SMILES
Cc1cc(C)n2nc(-c3cccc(Br)c3)cc2n1- InChIKey
XZYBLTKBGVPSSO-UHFFFAOYSA-N- Molecular formula
- C14H12BrN3
- Average molar mass
- 302.17 g/mol
- Monoisotopic mass
- 301.02146
Names & identifiers
- Preferred name
- 2-(3-Bromophenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidine
- IUPAC
- 2-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
Names & synonyms
2-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine296244-20-72-(3-Bromophenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidineRefChem:251414MLS0012078682-(3-Bromo-phenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidineSMR0005155138-(3-bromophenyl)-2,4-dimethyl-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraeneCBMicro_031257MixCom6_001561cid_686154CHEMBL1409773
Show more names
BDBM76631DTXSID101206494HMS2818N10REGID_FOR_CID_686154STK191860AKOS000598788CCG-107241BIM-0031078.P001
Database identifiers
- CAS
296244-20-7- PubChem CID
- 686154
- DTXSID
DTXSID101206494- ChEMBL
CHEMBL1409773
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Experimental & physicochemical properties
Solubility<0.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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