2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid

C24H28N2O5 — CID 134587047

IUPAC2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCOc1ccccc1-n1nc(COC(C)(C)C(=O)O)cc1-c1cccc(OC(C)C)c1
InChIInChI=1S/C24H28N2O5/c1-16(2)31-19-10-8-9-17(13-19)21-14-18(15-30-24(3,4)23(27)28)25-26(21)20-11-6-7-12-22(20)29-5/h6-14,16H,15H2,1-5H3,(H,27,28)
InChIKeyRWXDINGPUYRQMX-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.71
Rot. Bonds9

About 2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid

2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (PubChem CID 134587047) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
PubChem CID134587047
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCOc1ccccc1-n1nc(COC(C)(C)C(=O)O)cc1-c1cccc(OC(C)C)c1
InChIInChI=1S/C24H28N2O5/c1-16(2)31-19-10-8-9-17(13-19)21-14-18(15-30-24(3,4)23(27)28)25-26(21)20-11-6-7-12-22(20)29-5/h6-14,16H,15H2,1-5H3,(H,27,28)
InChIKeyRWXDINGPUYRQMX-UHFFFAOYSA-N
XLogP4.71
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (CID 134587047) is 2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is COc1ccccc1-n1nc(COC(C)(C)C(=O)O)cc1-c1cccc(OC(C)C)c1.
What is the InChIKey of 2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The InChIKey is RWXDINGPUYRQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-16(2)31-19-10-8-9-17(13-19)21-14-18(15-30-24(3,4)23(27)28)25-26(21)20-11-6-7-12-22(20)29-5/h6-14,16H,15H2,1-5H3,(H,27,28).
What are the key properties of 2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid has a molecular weight of 424.50 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 134587047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).