3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;1-(chloromethyl)-4-methoxybenzene;(1R)-1-[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]ethanol

C38H37Cl3F2N4O4 — CID 165058641

About 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;1-(chloromethyl)-4-methoxybenzene;(1R)-1-[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]ethanol

3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;1-(chloromethyl)-4-methoxybenzene;(1R)-1-[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]ethanol (PubChem CID 165058641) has the molecular formula C38H37Cl3F2N4O4 and a molecular weight of 758.09 g/mol. Its IUPAC name is 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;1-(chloromethyl)-4-methoxybenzene;(1R)-1-[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]ethanol.

Molecular Properties

• Compound Name: 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;1-(chloromethyl)-4-methoxybenzene;(1R)-1-[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]ethanol
• PubChem CID: 165058641
• Molecular Formula: C38H37Cl3F2N4O4
• Molecular Weight: 758.09 g/mol
• Exact Mass: 756.18
• IUPAC Name: 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;1-(chloromethyl)-4-methoxybenzene;(1R)-1-[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]ethanol
• SMILES: COc1ccc(CCl)cc1.COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2ccc(Cl)n2)cc1.C[C@@H](O)c1cc(F)ccc1-n1ccc(Cl)n1
• InChI: InChI=1S/C19H18ClFN2O2.C11H10ClFN2O.C8H9ClO/c1-13(25-12-14-3-6-16(24-2)7-4-14)17-11-15(21)5-8-18(17)23-10-9-19(20)22-23;1-7(16)9-6-8(13)2-3-10(9)15-5-4-11(12)14-15;1-10-8-4-2-7(6-9)3-5-8/h3-11,13H,12H2,1-2H3;2-7,16H,1H3;2-5H,6H2,1H3/t13-;7-;/m11./s1
• InChIKey: QVMUJRCMNSZBMA-ZXPMCHMGSA-N
• XLogP: 10.10
• TPSA: 83.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.09
LogP ≤ 5	10.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;1-(chloromethyl)-4-methoxybenzene;(1R)-1-[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]ethanol?

The IUPAC name of 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;1-(chloromethyl)-4-methoxybenzene;(1R)-1-[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]ethanol (CID 165058641) is 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;1-(chloromethyl)-4-methoxybenzene;(1R)-1-[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]ethanol.

What is the SMILES notation for 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;1-(chloromethyl)-4-methoxybenzene;(1R)-1-[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]ethanol?

The canonical SMILES for 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;1-(chloromethyl)-4-methoxybenzene;(1R)-1-[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]ethanol is COc1ccc(CCl)cc1.COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2ccc(Cl)n2)cc1.C[C@@H](O)c1cc(F)ccc1-n1ccc(Cl)n1.

What is the InChIKey of 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;1-(chloromethyl)-4-methoxybenzene;(1R)-1-[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]ethanol?

The InChIKey is QVMUJRCMNSZBMA-ZXPMCHMGSA-N. The full InChI is InChI=1S/C19H18ClFN2O2.C11H10ClFN2O.C8H9ClO/c1-13(25-12-14-3-6-16(24-2)7-4-14)17-11-15(21)5-8-18(17)23-10-9-19(20)22-23;1-7(16)9-6-8(13)2-3-10(9)15-5-4-11(12)14-15;1-10-8-4-2-7(6-9)3-5-8/h3-11,13H,12H2,1-2H3;2-7,16H,1H3;2-5H,6H2,1H3/t13-;7-;/m11./s1.

What are the key properties of 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;1-(chloromethyl)-4-methoxybenzene;(1R)-1-[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]ethanol?

3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;1-(chloromethyl)-4-methoxybenzene;(1R)-1-[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]ethanol has a molecular weight of 758.09 g/mol, XLogP of 10.10, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;1-(chloromethyl)-4-methoxybenzene;(1R)-1-[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]ethanol is sourced from PubChem (CID 165058641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).