(4-Benzylpiperazin-1-yl)[3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
Basic information
- CAS
6074-34-6- Standard SMILES
O=C(c1nn2c(c1Cl)NC(c1ccc(F)cc1)CC2C(F)(F)F)N1CCN(Cc2ccccc2)CC1- InChIKey
WAZDFUVVJORODA-UHFFFAOYSA-N- Molecular formula
- C25H24ClF4N5O
- Average molar mass
- 521.9 g/mol
- Monoisotopic mass
- 521.1605507
Names & identifiers
- Preferred name
- (4-Benzylpiperazin-1-yl)[3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
- IUPAC
- (4-benzylpiperazin-1-yl)-[3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
Names & synonyms
6074-34-6ST50706934(4-benzylpiperazin-1-yl)[3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone2-[(4-benzyl-1-piperazinyl)carbonyl]-3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidineCBMicro_002116ChemDiv1_004082HMS598J12DTXSID40417451SMSF0013321AKOS001622505AKOS021991552CB03964
Show more names
BIM-0002194.P001SR-01000437204SR-01000437204-1(4-benzylpiperazin-1-yl)-[3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone(4-Benzylpiperazin-1-yl)[3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3 -diazaperhydroin-2-yl) 4-benzylpiperazinyl ketone
Database identifiers
- CAS
6074-34-6- PubChem CID
- 2884653
- DTXSID
DTXSID40417451
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 753
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…