HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Amino-1-phenyl-4-pyrazolecarboxamide
NSC 50566 · NSC 11602 · TIMTEC-BB SBB005883 · 5-AMINO-1-PHENYLPYRAZOLE-4-CARBOXAMIDE · 5-azanyl-1-phenyl-pyrazole-4-carboxamide · 5-amino-1-phenyl-1,4-pyrazolecarboxamide · 5-Amino-1-phenyl-1H-pyrazole-4-carboxamide · 1H-Pyrazole-4-carboxamide, 5-amino-1-phenyl-
Identifikatoren & physikalische Daten
| CAS No. | 50427-77-5 |
|---|---|
| Summenformel | C10H10N4O |
| Durchschnittliche Molmasse | 202,21 g/mol |
| Monoisotopische Masse | 202,08546094 g/mol |
| SMILES | NC(=O)c1cnn(-c2ccccc2)c1N |
| InChIKey | UBKSUPKIDNXMMC-UHFFFAOYSA-N |
| PubChem CID | 1802 |
| ChEMBL | CHEMBL4544218 |
| EC No. | 637-132-9 |
| DTXSID | DTXSID90274334 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 86,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 240 |
| Schmelzpunkt | 169-172 |
| Siedepunkt | 423.7±25.0 °C(Predicted) |
| Dichte | 1.41±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO, Methanol |
| pKa (Säurekonstante) | 15.05±0.50(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White |
| InChI | InChI=1S/C10H10N4O/c11-9-8(10(12)15)6-13-14(9)7-4-2-1-3-5-7/h1-6H,11H2,(H2,12,15) |
| InChIKey | UBKSUPKIDNXMMC-UHFFFAOYSA-N |
| SMILES | N1(C2=CC=CC=C2)C(N)=C(C(N)=O)C=N1 |
| CAS Datenbank | 50427-77-5(CAS DataBase Reference) |
| NIST chemische Informationen | 5-Amino-1-phenylpyrazole-4-carboxamide(50427-77-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (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)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2933199090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
5-AMino-1-phenylpyrazole-4-carboxamide is used as a heterocyclic scaffold.