2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid

C22H19ClF2N2O3 — CID 45381487

IUPAC2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(COc2c(F)cc(CC3CC3C(=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)11-30-21-19(24)8-13(9-20(21)25)7-14-10-18(14)22(28)29/h2-6,8-9,14,18H,7,10-11H2,1H3,(H,28,29)
InChIKeySUYPNGCSTZBTER-UHFFFAOYSA-N
MW432.85 g/mol
LogP4.95
Rot. Bonds7

About 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid

2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid (PubChem CID 45381487) has the molecular formula C22H19ClF2N2O3 and a molecular weight of 432.85 g/mol. Its IUPAC name is 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid
PubChem CID45381487
Molecular FormulaC22H19ClF2N2O3
Molecular Weight432.85 g/mol
Exact Mass432.11
IUPAC Name2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(COc2c(F)cc(CC3CC3C(=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)11-30-21-19(24)8-13(9-20(21)25)7-14-10-18(14)22(28)29/h2-6,8-9,14,18H,7,10-11H2,1H3,(H,28,29)
InChIKeySUYPNGCSTZBTER-UHFFFAOYSA-N
XLogP4.95
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.85
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

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
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylic acid
CID 24271185
3-[5-(3,5-Dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid
CID 164621267
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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid (CID 45381487) is 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid is Cc1cc(COc2c(F)cc(CC3CC3C(=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]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is SUYPNGCSTZBTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O3/c1-12-6-17(27(26-12)16-4-2-15(23)3-5-16)11-30-21-19(24)8-13(9-20(21)25)7-14-10-18(14)22(28)29/h2-6,8-9,14,18H,7,10-11H2,1H3,(H,28,29).
What are the key properties of 2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid?
2-[[4-[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]methoxy]-3,5-difluorophenyl]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 432.85 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 45381487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).