3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole-5-carbaldehyde;N,N-dimethylformamide

C42H43Cl2F2N5O6 — CID 164948315

About 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole-5-carbaldehyde;N,N-dimethylformamide

3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole-5-carbaldehyde;N,N-dimethylformamide (PubChem CID 164948315) has the molecular formula C42H43Cl2F2N5O6 and a molecular weight of 822.74 g/mol. Its IUPAC name is 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole-5-carbaldehyde;N,N-dimethylformamide.

Molecular Properties

• Compound Name: 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole-5-carbaldehyde;N,N-dimethylformamide
• PubChem CID: 164948315
• Molecular Formula: C42H43Cl2F2N5O6
• Molecular Weight: 822.74 g/mol
• Exact Mass: 821.26
• IUPAC Name: 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole-5-carbaldehyde;N,N-dimethylformamide
• SMILES: CN(C)C=O.COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2ccc(Cl)n2)cc1.COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2nc(Cl)cc2C=O)cc1
• InChI: InChI=1S/C20H18ClFN2O3.C19H18ClFN2O2.C3H7NO/c1-13(27-12-14-3-6-17(26-2)7-4-14)18-9-15(22)5-8-19(18)24-16(11-25)10-20(21)23-24;1-13(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;1-4(2)3-5/h3-11,13H,12H2,1-2H3;3-11,13H,12H2,1-2H3;3H,1-2H3/t2*13-;/m11./s1
• InChIKey: AELMAQZHXCWAKJ-WFEKIRLUSA-N
• XLogP: 9.42
• TPSA: 109.94 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.74
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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;3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole-5-carbaldehyde;N,N-dimethylformamide?

The IUPAC name of 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole-5-carbaldehyde;N,N-dimethylformamide (CID 164948315) is 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole-5-carbaldehyde;N,N-dimethylformamide.

What is the SMILES notation for 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole-5-carbaldehyde;N,N-dimethylformamide?

The canonical SMILES for 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole-5-carbaldehyde;N,N-dimethylformamide is CN(C)C=O.COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2ccc(Cl)n2)cc1.COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2nc(Cl)cc2C=O)cc1.

What is the InChIKey of 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole-5-carbaldehyde;N,N-dimethylformamide?

The InChIKey is AELMAQZHXCWAKJ-WFEKIRLUSA-N. The full InChI is InChI=1S/C20H18ClFN2O3.C19H18ClFN2O2.C3H7NO/c1-13(27-12-14-3-6-17(26-2)7-4-14)18-9-15(22)5-8-19(18)24-16(11-25)10-20(21)23-24;1-13(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;1-4(2)3-5/h3-11,13H,12H2,1-2H3;3-11,13H,12H2,1-2H3;3H,1-2H3/t2*13-;/m11./s1.

What are the key properties of 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole-5-carbaldehyde;N,N-dimethylformamide?

3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole-5-carbaldehyde;N,N-dimethylformamide has a molecular weight of 822.74 g/mol, XLogP of 9.42, 14 rotatable bonds, 0 hydrogen bond donors, and 10 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;3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole-5-carbaldehyde;N,N-dimethylformamide is sourced from PubChem (CID 164948315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).