Basic information
- CAS
72851-18-4- Standard SMILES
c1ccc(-c2ccnc3ccnn23)cc1- InChIKey
ADXNTBSHXKKTLU-UHFFFAOYSA-N- Molecular formula
- C12H9N3
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.0796473
Names & identifiers
- Preferred name
- 7-Phenylpyrazolo[1,5-a]pyrimidine
- IUPAC
- 7-phenylpyrazolo[1,5-a]pyrimidine
- English name
- Pyrazolo[1,5-a]pyrimidine, 7-phenyl-
- Molecular formula
- C12H9N3
- Molecular weight
- 195.22
Names & synonyms
7-Phenylpyrazolo[1,5-a]pyrimidine72851-18-4Pyrazolo[1,5-a]pyrimidine, 7-phenyl-SCHEMBL11463687DTXSID70601841ADXNTBSHXKKTLU-UHFFFAOYSA-NC91597
Database identifiers
- CAS
72851-18-4- PubChem CID
- 20033008
- DTXSID
DTXSID70601841- Nikkaji
- J3.330.165K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 0.2 · 0.20±0.30(Predicted)
Chemistry & industry
Suppliers2 total
成都科瑞嘉医药科技有限公司18290480864 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
2 records
Compound notes
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