N-[3-[3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide

C₃₂H₂₅ClF₃N₅O₃ — CID 155525737

About N-[3-[3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide

N-[3-[3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide (PubChem CID 155525737) has the molecular formula C₃₂H₂₅ClF₃N₅O₃ and a molecular weight of 620.03 g/mol. Its IUPAC name is N-[3-[3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-[3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
• PubChem CID: 155525737
• Molecular Formula: C₃₂H₂₅ClF₃N₅O₃
• Molecular Weight: 620.03 g/mol
• Exact Mass: 619.16
• IUPAC Name: N-[3-[3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
• SMILES: O=C(Nc1cccc(-n2cc(-c3ccncc3)c(-c3cc(O)cc(Cl)c3)n2)c1)c1ccc(N2CCOCC2)c(C(F)(F)F)c1
• InChI: InChI=1S/C32H25ClF3N5O3/c33-23-14-22(15-26(42)17-23)30-27(20-6-8-37-9-7-20)19-41(39-30)25-3-1-2-24(18-25)38-31(43)21-4-5-29(28(16-21)32(34,35)36)40-10-12-44-13-11-40/h1-9,14-19,42H,10-13H2,(H,38,43)
• InChIKey: WYUBUECXXSJUPJ-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 92.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.03
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[3-[3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide (CID 155525737) is N-[3-[3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[3-[3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[3-[3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(-n2cc(-c3ccncc3)c(-c3cc(O)cc(Cl)c3)n2)c1)c1ccc(N2CCOCC2)c(C(F)(F)F)c1.

What is the InChIKey of N-[3-[3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?

The InChIKey is WYUBUECXXSJUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClF3N5O3/c33-23-14-22(15-26(42)17-23)30-27(20-6-8-37-9-7-20)19-41(39-30)25-3-1-2-24(18-25)38-31(43)21-4-5-29(28(16-21)32(34,35)36)40-10-12-44-13-11-40/h1-9,14-19,42H,10-13H2,(H,38,43).

What are the key properties of N-[3-[3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide?

N-[3-[3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide has a molecular weight of 620.03 g/mol, XLogP of 7.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 155525737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155525737 — identifiers, structure, computed properties (public domain)

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