CAS 115930-92-2 7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (HCID 2777692)

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Basic information

CAS: 115930-92-2
Standard SMILES: NC(=O)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12
InChIKey: NISNJNISVXZUQS-UHFFFAOYSA-N
Molecular formula: C14H9F3N4O
Average molar mass: 306.24 g/mol
Monoisotopic mass: 306.07284557

Names & identifiers

Preferred name: 7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
IUPAC: 7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
English name: 7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular formula: C14H9F3N4O
Molecular weight: 306.24

Names & synonyms

115930-92-27-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide7-(3-(Trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamideMFCD002766067-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]-pyrimidine-3-carboxamideMaybridge3_006293MLS000861940SCHEMBL8435070CHEMBL1383028DTXSID30380620HMS1448O01HMS2811L18

Show more names

7-[3-(trifluoromethyl)phenyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamidePyrazolo[1,5-a]pyrimidine-3-carboxamide, 7-[3-(trifluoromethyl)phenyl]-7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide97%7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 97%

AKOS015912409CCG-245133IDI1_017680SMR000460724DB-041293CS-0441444ST51041643F008445

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 73.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 431

Experimental & physicochemical properties

Solubility7.5 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P302+P352-P362+P364
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.