2-[[5-(3-cyclopropyloxyphenyl)-1-(2-propan-2-ylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid

C26H30N2O4 — CID 134587092

IUPAC2-[[5-(3-cyclopropyloxyphenyl)-1-(2-propan-2-ylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCC(C)c1ccccc1-n1nc(COC(C)(C)C(=O)O)cc1-c1cccc(OC2CC2)c1
InChIInChI=1S/C26H30N2O4/c1-17(2)22-10-5-6-11-23(22)28-24(15-19(27-28)16-31-26(3,4)25(29)30)18-8-7-9-21(14-18)32-20-12-13-20/h5-11,14-15,17,20H,12-13,16H2,1-4H3,(H,29,30)
InChIKeyILKJLXLJNRYHMJ-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.58
Rot. Bonds9

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

2-[[5-(3-cyclopropyloxyphenyl)-1-(2-propan-2-ylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (PubChem CID 134587092) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-propan-2-ylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[5-(3-cyclopropyloxyphenyl)-1-(2-propan-2-ylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
PubChem CID134587092
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name2-[[5-(3-cyclopropyloxyphenyl)-1-(2-propan-2-ylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCC(C)c1ccccc1-n1nc(COC(C)(C)C(=O)O)cc1-c1cccc(OC2CC2)c1
InChIInChI=1S/C26H30N2O4/c1-17(2)22-10-5-6-11-23(22)28-24(15-19(27-28)16-31-26(3,4)25(29)30)18-8-7-9-21(14-18)32-20-12-13-20/h5-11,14-15,17,20H,12-13,16H2,1-4H3,(H,29,30)
InChIKeyILKJLXLJNRYHMJ-UHFFFAOYSA-N
XLogP5.58
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-propan-2-ylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-propan-2-ylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (CID 134587092) is 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-propan-2-ylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-propan-2-ylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-propan-2-ylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is CC(C)c1ccccc1-n1nc(COC(C)(C)C(=O)O)cc1-c1cccc(OC2CC2)c1.
What is the InChIKey of 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-propan-2-ylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The InChIKey is ILKJLXLJNRYHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-17(2)22-10-5-6-11-23(22)28-24(15-19(27-28)16-31-26(3,4)25(29)30)18-8-7-9-21(14-18)32-20-12-13-20/h5-11,14-15,17,20H,12-13,16H2,1-4H3,(H,29,30).
What are the key properties of 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-propan-2-ylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
2-[[5-(3-cyclopropyloxyphenyl)-1-(2-propan-2-ylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid has a molecular weight of 434.54 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-propan-2-ylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 134587092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).