2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid

C22H23ClN2O5 — CID 134587038

IUPAC2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCOc1cc(OC)cc(-c2cc(COC(C)(C)C(=O)O)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C22H23ClN2O5/c1-22(2,21(26)27)30-13-15-11-20(14-9-16(28-3)12-17(10-14)29-4)25(24-15)19-8-6-5-7-18(19)23/h5-12H,13H2,1-4H3,(H,26,27)
InChIKeyLNZARVVMFVWPAR-UHFFFAOYSA-N
MW430.89 g/mol
LogP4.59
Rot. Bonds8

About 2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid

2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (PubChem CID 134587038) has the molecular formula C22H23ClN2O5 and a molecular weight of 430.89 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
PubChem CID134587038
Molecular FormulaC22H23ClN2O5
Molecular Weight430.89 g/mol
Exact Mass430.13
IUPAC Name2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCOc1cc(OC)cc(-c2cc(COC(C)(C)C(=O)O)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C22H23ClN2O5/c1-22(2,21(26)27)30-13-15-11-20(14-9-16(28-3)12-17(10-14)29-4)25(24-15)19-8-6-5-7-18(19)23/h5-12H,13H2,1-4H3,(H,26,27)
InChIKeyLNZARVVMFVWPAR-UHFFFAOYSA-N
XLogP4.59
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (CID 134587038) is 2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is COc1cc(OC)cc(-c2cc(COC(C)(C)C(=O)O)nn2-c2ccccc2Cl)c1.
What is the InChIKey of 2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The InChIKey is LNZARVVMFVWPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O5/c1-22(2,21(26)27)30-13-15-11-20(14-9-16(28-3)12-17(10-14)29-4)25(24-15)19-8-6-5-7-18(19)23/h5-12H,13H2,1-4H3,(H,26,27).
What are the key properties of 2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid has a molecular weight of 430.89 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 134587038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).