1-ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol

C34H32F8N8O4 — CID 165013413

About 1-ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol

1-ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol (PubChem CID 165013413) has the molecular formula C34H32F8N8O4 and a molecular weight of 768.67 g/mol. Its IUPAC name is 1-ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol.

Molecular Properties

• Compound Name: 1-ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol
• PubChem CID: 165013413
• Molecular Formula: C34H32F8N8O4
• Molecular Weight: 768.67 g/mol
• Exact Mass: 768.24
• IUPAC Name: 1-ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol
• SMILES: CCn1cc(C(O)c2cc(C(F)(F)F)nn2-c2ccc(F)cc2CO)cn1.CCn1cc(C=O)cn1.OCc1cc(F)ccc1-n1ccc(C(F)(F)F)n1
• InChI: InChI=1S/C17H16F4N4O2.C11H8F4N2O.C6H8N2O/c1-2-24-8-11(7-22-24)16(27)14-6-15(17(19,20)21)23-25(14)13-4-3-12(18)5-10(13)9-26;12-8-1-2-9(7(5-8)6-18)17-4-3-10(16-17)11(13,14)15;1-2-8-4-6(5-9)3-7-8/h3-8,16,26-27H,2,9H2,1H3;1-5,18H,6H2;3-5H,2H2,1H3
• InChIKey: KASOORMPRZACSP-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 149.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	768.67
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol?

The IUPAC name of 1-ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol (CID 165013413) is 1-ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol.

What is the SMILES notation for 1-ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol?

The canonical SMILES for 1-ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol is CCn1cc(C(O)c2cc(C(F)(F)F)nn2-c2ccc(F)cc2CO)cn1.CCn1cc(C=O)cn1.OCc1cc(F)ccc1-n1ccc(C(F)(F)F)n1.

What is the InChIKey of 1-ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol?

The InChIKey is KASOORMPRZACSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N4O2.C11H8F4N2O.C6H8N2O/c1-2-24-8-11(7-22-24)16(27)14-6-15(17(19,20)21)23-25(14)13-4-3-12(18)5-10(13)9-26;12-8-1-2-9(7(5-8)6-18)17-4-3-10(16-17)11(13,14)15;1-2-8-4-6(5-9)3-7-8/h3-8,16,26-27H,2,9H2,1H3;1-5,18H,6H2;3-5H,2H2,1H3.

What are the key properties of 1-ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol?

1-ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol has a molecular weight of 768.67 g/mol, XLogP of 6.06, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol is sourced from PubChem (CID 165013413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).