Basic information
- CAS
478039-30-4- Standard SMILES
Cc1cc2nccc(-c3ccc(OCCCF)cc3)n2n1- InChIKey
WHBYYHZQEXJITP-UHFFFAOYSA-N- Molecular formula
- C16H16FN3O
- Average molar mass
- 285.32 g/mol
- Monoisotopic mass
- 285.1277403
Names & identifiers
- Preferred name
- 3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
- IUPAC
- 7-[4-(3-fluoropropoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine
- English name
- 3-FLUOROPROPYL 4-(2-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)PHENYL ETHER
- Molecular formula
- C16H16FN3O
- Molecular weight
- 285.32
Names & synonyms
478039-30-47-[4-(3-fluoropropoxy)phenyl]-2-methylpyrazolo[1,5-a]pyrimidine3-fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether7-(4-(3-Fluoropropoxy)phenyl)-2-methylpyrazolo[1,5-a]pyrimidineMLS001166166C16H16FN3OCHEMBL1392816DTXSID501327452HMS2873O12MFCD02571885AKOS005089140SMR000550160
Show more names
Pyrazolo[1,5-a]pyrimidine, 7-[4-(3-fluoropropoxy)phenyl]-2-methyl-
CS-03320823R-01007-[4-(3-fluoropropoxy)phenyl]-2-methyl-pyrazolo[1,5-a]pyrimidine
Database identifiers
- CAS
478039-30-4- PubChem CID
- 3692931
- DTXSID
DTXSID501327452- ChEMBL
CHEMBL1392816
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
Solubility38.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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