1-ethyltriazole-4-carbaldehyde;(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole

C50H50F8N10O6 — CID 165084959

About 1-ethyltriazole-4-carbaldehyde;(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole

1-ethyltriazole-4-carbaldehyde;(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole (PubChem CID 165084959) has the molecular formula C50H50F8N10O6 and a molecular weight of 1039.00 g/mol. Its IUPAC name is 1-ethyltriazole-4-carbaldehyde;(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

• Compound Name: 1-ethyltriazole-4-carbaldehyde;(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole
• PubChem CID: 165084959
• Molecular Formula: C50H50F8N10O6
• Molecular Weight: 1039.00 g/mol
• Exact Mass: 1038.38
• IUPAC Name: 1-ethyltriazole-4-carbaldehyde;(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole
• SMILES: CCn1cc(C(O)c2cc(C(F)(F)F)nn2-c2ccc(F)cc2[C@@H](C)OCc2ccc(OC)cc2)nn1.CCn1cc(C=O)nn1.COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2ccc(C(F)(F)F)n2)cc1
• InChI: InChI=1S/C25H25F4N5O3.C20H18F4N2O2.C5H7N3O/c1-4-33-13-20(30-32-33)24(35)22-12-23(25(27,28)29)31-34(22)21-10-7-17(26)11-19(21)15(2)37-14-16-5-8-18(36-3)9-6-16;1-13(28-12-14-3-6-16(27-2)7-4-14)17-11-15(21)5-8-18(17)26-10-9-19(25-26)20(22,23)24;1-2-8-3-5(4-9)6-7-8/h5-13,15,24,35H,4,14H2,1-3H3;3-11,13H,12H2,1-2H3;3-4H,2H2,1H3/t15-,24?;13-;/m11./s1
• InChIKey: VSYOYVUYTVIJOW-YXKJEWMDSA-N
• XLogP: 10.44
• TPSA: 171.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1039.00
LogP ≤ 5	10.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyltriazole-4-carbaldehyde;(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole?

The IUPAC name of 1-ethyltriazole-4-carbaldehyde;(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole (CID 165084959) is 1-ethyltriazole-4-carbaldehyde;(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole.

What is the SMILES notation for 1-ethyltriazole-4-carbaldehyde;(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole?

The canonical SMILES for 1-ethyltriazole-4-carbaldehyde;(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole is CCn1cc(C(O)c2cc(C(F)(F)F)nn2-c2ccc(F)cc2[C@@H](C)OCc2ccc(OC)cc2)nn1.CCn1cc(C=O)nn1.COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2ccc(C(F)(F)F)n2)cc1.

What is the InChIKey of 1-ethyltriazole-4-carbaldehyde;(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole?

The InChIKey is VSYOYVUYTVIJOW-YXKJEWMDSA-N. The full InChI is InChI=1S/C25H25F4N5O3.C20H18F4N2O2.C5H7N3O/c1-4-33-13-20(30-32-33)24(35)22-12-23(25(27,28)29)31-34(22)21-10-7-17(26)11-19(21)15(2)37-14-16-5-8-18(36-3)9-6-16;1-13(28-12-14-3-6-16(27-2)7-4-14)17-11-15(21)5-8-18(17)26-10-9-19(25-26)20(22,23)24;1-2-8-3-5(4-9)6-7-8/h5-13,15,24,35H,4,14H2,1-3H3;3-11,13H,12H2,1-2H3;3-4H,2H2,1H3/t15-,24?;13-;/m11./s1.

What are the key properties of 1-ethyltriazole-4-carbaldehyde;(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole?

1-ethyltriazole-4-carbaldehyde;(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 1039.00 g/mol, XLogP of 10.44, 17 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyltriazole-4-carbaldehyde;(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 165084959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).