2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid

C20H17ClF2N2O4 — CID 45380839

IUPAC2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid
SMILESCc1cc(COc2c(F)cc(COCC(=O)O)cc2F)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17ClF2N2O4/c1-12-6-16(25(24-12)15-4-2-14(21)3-5-15)10-29-20-17(22)7-13(8-18(20)23)9-28-11-19(26)27/h2-8H,9-11H2,1H3,(H,26,27)
InChIKeySBENXNVOAUHBNN-UHFFFAOYSA-N
MW422.82 g/mol
LogP4.29
Rot. Bonds8

About 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid

2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid (PubChem CID 45380839) has the molecular formula C20H17ClF2N2O4 and a molecular weight of 422.82 g/mol. Its IUPAC name is 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid
PubChem CID45380839
Molecular FormulaC20H17ClF2N2O4
Molecular Weight422.82 g/mol
Exact Mass422.08
IUPAC Name2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid
SMILESCc1cc(COc2c(F)cc(COCC(=O)O)cc2F)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17ClF2N2O4/c1-12-6-16(25(24-12)15-4-2-14(21)3-5-15)10-29-20-17(22)7-13(8-18(20)23)9-28-11-19(26)27/h2-8H,9-11H2,1H3,(H,26,27)
InChIKeySBENXNVOAUHBNN-UHFFFAOYSA-N
XLogP4.29
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.82
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid with MolForge

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Related Compounds

2-((1-(2-Chlorophenyl)-5-(3-cyclopropoxyphenyl)-1H-pyrazol-3-yl)methoxy)-2-methylpropanoic acid
CID 134602985
US10202350, Example 43
CID 124124525
US10214492, Example 117
CID 134587001
US10214492, Example 159
CID 134587063
US10214492, Example 106
CID 134587086
US10214492, Example 181
CID 134587148
US10214492, Example 160
CID 134587213
US10202350, Example 59
CID 124124529
US10202350, Example 57
CID 124124579
US10202350, Example 58
CID 124129077
US10214492, Example 179
CID 134587038
US10214492, Example 178
CID 134587049

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid?
The IUPAC name of 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid (CID 45380839) is 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid.
What is the SMILES notation for 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid?
The canonical SMILES for 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid is Cc1cc(COc2c(F)cc(COCC(=O)O)cc2F)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid?
The InChIKey is SBENXNVOAUHBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N2O4/c1-12-6-16(25(24-12)15-4-2-14(21)3-5-15)10-29-20-17(22)7-13(8-18(20)23)9-28-11-19(26)27/h2-8H,9-11H2,1H3,(H,26,27).
What are the key properties of 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid?
2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid has a molecular weight of 422.82 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methoxy]acetic acid is sourced from PubChem (CID 45380839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).