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

C22H19ClF2N2O3 — CID 45382018

IUPAC2-[2-[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]cyclopropyl]acetic acid
SMILESCc1cc(COc2c(F)cc(C3CC3CC(=O)O)cc2F)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H19ClF2N2O3/c1-12-6-17(27(26-12)16-4-2-15(23)3-5-16)11-30-22-19(24)8-14(9-20(22)25)18-7-13(18)10-21(28)29/h2-6,8-9,13,18H,7,10-11H2,1H3,(H,28,29)
InChIKeyWYGFNQGGPRKGFJ-UHFFFAOYSA-N
MW432.85 g/mol
LogP5.27
Rot. Bonds7

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

2-[2-[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]cyclopropyl]acetic acid (PubChem CID 45382018) has the molecular formula C22H19ClF2N2O3 and a molecular weight of 432.85 g/mol. Its IUPAC name is 2-[2-[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]cyclopropyl]acetic acid
PubChem CID45382018
Molecular FormulaC22H19ClF2N2O3
Molecular Weight432.85 g/mol
Exact Mass432.11
IUPAC Name2-[2-[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]cyclopropyl]acetic acid
SMILESCc1cc(COc2c(F)cc(C3CC3CC(=O)O)cc2F)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H19ClF2N2O3/c1-12-6-17(27(26-12)16-4-2-15(23)3-5-16)11-30-22-19(24)8-14(9-20(22)25)18-7-13(18)10-21(28)29/h2-6,8-9,13,18H,7,10-11H2,1H3,(H,28,29)
InChIKeyWYGFNQGGPRKGFJ-UHFFFAOYSA-N
XLogP5.27
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.85
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-phenylpropanoic acid
CID 44444767
3-[4-[[2-(4-Chlorophenyl)pyrazol-3-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
CID 59455552
3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-(4-methoxyphenyl)propanoic acid
CID 15002730
US10202350, Example 59
CID 124124529
US10214492, Example 262
CID 134587198
3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic Acid
CID 188850
(5Z)-3-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]-5-[tri(propan-2-yl)silylmethylidene]furan-2-one
CID 164674089
US9938222, Example 82
CID 118947415
Ethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 15002724
3-[4-[[5-Chloro-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methoxy]-2-methylphenyl]propanoic acid
CID 10458518
2-[3-[[5-Chloro-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methoxy]phenyl]acetic acid
CID 10479772
3-(4-((1-(4-Chlorophenyl)-3-methyl-1h-pyrazol-5-yl)methoxy)-3,5-difluorophenyl)-2-methylpropanoic acid
CID 45275358

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[2-[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]cyclopropyl]acetic acid (CID 45382018) is 2-[2-[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[2-[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[2-[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]cyclopropyl]acetic acid is Cc1cc(COc2c(F)cc(C3CC3CC(=O)O)cc2F)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]cyclopropyl]acetic acid?
The InChIKey is WYGFNQGGPRKGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O3/c1-12-6-17(27(26-12)16-4-2-15(23)3-5-16)11-30-22-19(24)8-14(9-20(22)25)18-7-13(18)10-21(28)29/h2-6,8-9,13,18H,7,10-11H2,1H3,(H,28,29).
What are the key properties of 2-[2-[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]cyclopropyl]acetic acid?
2-[2-[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]cyclopropyl]acetic acid has a molecular weight of 432.85 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 45382018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).