2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid

C24H24F3N3O4 — CID 69246487

IUPAC2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3cc(OCc4ccccc4OC(F)(F)F)n[nH]3)cn2)CC1
InChIInChI=1S/C24H24F3N3O4/c25-24(26,27)34-21-4-2-1-3-18(21)14-33-22-12-20(29-30-22)17-9-10-19(28-13-17)16-7-5-15(6-8-16)11-23(31)32/h1-4,9-10,12-13,15-16H,5-8,11,14H2,(H,29,30)(H,31,32)
InChIKeyMZCYYPUNCWPDKG-UHFFFAOYSA-N
MW475.47 g/mol
LogP5.70
Rot. Bonds8

About 2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid

2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid (PubChem CID 69246487) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is 2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid
PubChem CID69246487
Molecular FormulaC24H24F3N3O4
Molecular Weight475.47 g/mol
Exact Mass475.17
IUPAC Name2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3cc(OCc4ccccc4OC(F)(F)F)n[nH]3)cn2)CC1
InChIInChI=1S/C24H24F3N3O4/c25-24(26,27)34-21-4-2-1-3-18(21)14-33-22-12-20(29-30-22)17-9-10-19(28-13-17)16-7-5-15(6-8-16)11-23(31)32/h1-4,9-10,12-13,15-16H,5-8,11,14H2,(H,29,30)(H,31,32)
InChIKeyMZCYYPUNCWPDKG-UHFFFAOYSA-N
XLogP5.70
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.47
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid (CID 69246487) is 2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid is O=C(O)CC1CCC(c2ccc(-c3cc(OCc4ccccc4OC(F)(F)F)n[nH]3)cn2)CC1.
What is the InChIKey of 2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid?
The InChIKey is MZCYYPUNCWPDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O4/c25-24(26,27)34-21-4-2-1-3-18(21)14-33-22-12-20(29-30-22)17-9-10-19(28-13-17)16-7-5-15(6-8-16)11-23(31)32/h1-4,9-10,12-13,15-16H,5-8,11,14H2,(H,29,30)(H,31,32).
What are the key properties of 2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid?
2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid has a molecular weight of 475.47 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[3-[[2-(trifluoromethoxy)phenyl]methoxy]-1H-pyrazol-5-yl]-2-pyridinyl]cyclohexyl]acetic acid is sourced from PubChem (CID 69246487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).