4,5-Dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

HCID 2737093CAS 115931-11-8

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Basic information

Standard SMILES: NC(=O)c1cnn2c1NCC=C2c1cccc(C(F)(F)F)c1
InChIKey: KZFGNDBDCDFDSL-UHFFFAOYSA-N
Molecular formula: C14H11F3N4O
Average molar mass: 308.26 g/mol

Names & identifiers

Preferred name: 4,5-Dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
IUPAC: 7-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
English name: 4,5-DIHYDRO-7-[3-(TRIFLUOROMETHYL)PHENYL]PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE
Molecular formula: C14H11F3N4O
Molecular weight: 308.26

Names & synonyms

115931-11-84,5-Dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide7-(3-(Trifluoromethyl)phenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide7-[3-(Trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamideMFCD002766034,5-Dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo-[1,5-a]pyrimidine-3-carboxamideUUKMJUDIKVGGBQ-UHFFFAOYSA-NMaybridge3_0059877-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamideSCHEMBL8337425DTXSID30420676HMS1448A03

Show more names

4,5-Dihydro-7-[3-(trifluromrthyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide4,5-Dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide97%4,5-Dihydro-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 97%

CCG-47526AKOS015852773IDI1_017374Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 4,5-dihydro-7-[3-(trifluoromethyl)phenyl]-DB-004593CS-0451941F008294SR-01000637133-1

Database identifiers

CAS: 115931-11-8
PubChem CID: 2737093
DTXSID: DTXSID30420676

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 72.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 479

Physicochemical properties

Melting point: 157 · 157-160 °C
Boiling point: 416.2 · 416.2±45.0 °C(Predicted)
Density: 1.53 · 1.53±0.1 g/cm3(Predicted)
pka: 15.1 · 15.10±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2933998090 · 2933998090