3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid

C34H27F5N2O4 — CID 23159832

IUPAC3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2ccc(Cn3cc(COc4ccc(C(F)(F)F)cc4)c(-c4ccc(F)cc4)n3)cc2)cc1F
InChIInChI=1S/C34H27F5N2O4/c35-28-11-5-25(6-12-28)33-26(21-45-29-14-9-27(10-15-29)34(37,38)39)19-41(40-33)18-22-1-3-23(4-2-22)20-44-30-13-7-24(31(36)17-30)8-16-32(42)43/h1-7,9-15,17,19H,8,16,18,20-21H2,(H,42,43)
InChIKeyLZUNKNMDLLMENV-UHFFFAOYSA-N
MW622.59 g/mol
LogP8.07
Rot. Bonds12

About 3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid

3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid (PubChem CID 23159832) has the molecular formula C34H27F5N2O4 and a molecular weight of 622.59 g/mol. Its IUPAC name is 3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid
PubChem CID23159832
Molecular FormulaC34H27F5N2O4
Molecular Weight622.59 g/mol
Exact Mass622.19
IUPAC Name3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2ccc(Cn3cc(COc4ccc(C(F)(F)F)cc4)c(-c4ccc(F)cc4)n3)cc2)cc1F
InChIInChI=1S/C34H27F5N2O4/c35-28-11-5-25(6-12-28)33-26(21-45-29-14-9-27(10-15-29)34(37,38)39)19-41(40-33)18-22-1-3-23(4-2-22)20-44-30-13-7-24(31(36)17-30)8-16-32(42)43/h1-7,9-15,17,19H,8,16,18,20-21H2,(H,42,43)
InChIKeyLZUNKNMDLLMENV-UHFFFAOYSA-N
XLogP8.07
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.59
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol
CID 69423063
3-[3-phenyl-1-[[4-[(5-phenyl-3-pyridinyl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
CID 69421747
3-[3-(4-fluorophenyl)-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]propanoic acid
CID 69422622
3-[2-fluoro-4-[[4-[[2-(4-fluorophenyl)ethyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23143329
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid
CID 146593712
3-[2-[(4-fluorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 67444349
3-[4-[[3-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methoxy]-2-methylphenyl]propanoic acid
CID 58733759
3-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]propanoic acid
CID 91871978
3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871952
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19345139
3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640142
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid (CID 23159832) is 3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCc2ccc(Cn3cc(COc4ccc(C(F)(F)F)cc4)c(-c4ccc(F)cc4)n3)cc2)cc1F.
What is the InChIKey of 3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid?
The InChIKey is LZUNKNMDLLMENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F5N2O4/c35-28-11-5-25(6-12-28)33-26(21-45-29-14-9-27(10-15-29)34(37,38)39)19-41(40-33)18-22-1-3-23(4-2-22)20-44-30-13-7-24(31(36)17-30)8-16-32(42)43/h1-7,9-15,17,19H,8,16,18,20-21H2,(H,42,43).
What are the key properties of 3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid?
3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid has a molecular weight of 622.59 g/mol, XLogP of 8.07, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-[[4-[[3-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 23159832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).