Basic information
- CAS
478258-98-9- Standard SMILES
Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccccc3)n2n1- InChIKey
PXABSJKVNFESFA-UHFFFAOYSA-N- Molecular formula
- C22H18N4S
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.12521776
Names & identifiers
- Preferred name
- 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-phenylpyrazolo[1,5-a]pyrimidine
- IUPAC
- 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine
- English name
- 2-[3-(2,5-DIMETHYL-1H-PYRROL-1-YL)-2-THIENYL]-7-PHENYLPYRAZOLO[1,5-A]PYRIMIDINE
- Molecular formula
- C22H18N4S
- Molecular weight
- 370.47
Names & synonyms
478258-98-92-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-phenylpyrazolo[1,5-a]pyrimidine2,5-dimethyl-1-(2-{7-phenylpyrazolo[1,5-a]pyrimidin-2-yl}thiophen-3-yl)-1H-pyrrole2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidineBionet1_004733HMS582I15DTXSID901136742AKOS0051018878R-00232-[3-(2,5-Dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidinePyrazolo[1,5-a]pyrimidine, 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-phenyl-
Database identifiers
- CAS
478258-98-9- PubChem CID
- 3693539
- DTXSID
DTXSID901136742
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- -0.63 · -0.63±0.40(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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