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

C22H24N2O4 — CID 134587082

IUPAC2-[[5-(3-methoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCOc1cccc(-c2cc(COC(C)(C)C(=O)O)nn2-c2ccccc2C)c1
InChIInChI=1S/C22H24N2O4/c1-15-8-5-6-11-19(15)24-20(16-9-7-10-18(12-16)27-4)13-17(23-24)14-28-22(2,3)21(25)26/h5-13H,14H2,1-4H3,(H,25,26)
InChIKeyQIQXXEUZOKDAAH-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.24
Rot. Bonds7

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

2-[[5-(3-methoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (PubChem CID 134587082) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[[5-(3-methoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[5-(3-methoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
PubChem CID134587082
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[[5-(3-methoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCOc1cccc(-c2cc(COC(C)(C)C(=O)O)nn2-c2ccccc2C)c1
InChIInChI=1S/C22H24N2O4/c1-15-8-5-6-11-19(15)24-20(16-9-7-10-18(12-16)27-4)13-17(23-24)14-28-22(2,3)21(25)26/h5-13H,14H2,1-4H3,(H,25,26)
InChIKeyQIQXXEUZOKDAAH-UHFFFAOYSA-N
XLogP4.24
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-methoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[5-(3-methoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (CID 134587082) is 2-[[5-(3-methoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[5-(3-methoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[5-(3-methoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is COc1cccc(-c2cc(COC(C)(C)C(=O)O)nn2-c2ccccc2C)c1.
What is the InChIKey of 2-[[5-(3-methoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The InChIKey is QIQXXEUZOKDAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-8-5-6-11-19(15)24-20(16-9-7-10-18(12-16)27-4)13-17(23-24)14-28-22(2,3)21(25)26/h5-13H,14H2,1-4H3,(H,25,26).
What are the key properties of 2-[[5-(3-methoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
2-[[5-(3-methoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid has a molecular weight of 380.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-methoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 134587082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).