16,17-Pyrazoleestrone
[CAS# 3460-91-1]

Identification

• Name: 16,17-Pyrazoleestrone
• Synonyms: 1'H-Estra-1,3,5(10)-Trieno(17,16-C)Pyrazol-3-Ol
• Molecular Formula: C₁₉H₂₂N₂O
• Molecular Weight: 294.40
• CAS Registry Number: 3460-91-1
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](CC3)(C5=C(C4)C=N[NH]5)C)O
• InChI: 1S/C19H22N2O/c1-19-7-6-15-14-5-3-13(22)8-11(14)2-4-16(15)17(19)9-12-10-20-21-18(12)19/h3,5,8,10,15-17,22H,2,4,6-7,9H2,1H3,(H,20,21)/t15-,16-,17+,19+/m1/s1
• InChIKey: LYPKZGCWSASPDL-VXNCWWDNSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 520.267°C at 760 mmHg (Cal.)
• Flash point: 268.448°C (Cal.)