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

C25H28N2O5 — CID 134587031

IUPAC2-[[5-(3-cyclopropyloxyphenyl)-1-(2-ethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCCOc1ccccc1-n1nc(COC(C)(C)C(=O)O)cc1-c1cccc(OC2CC2)c1
InChIInChI=1S/C25H28N2O5/c1-4-30-23-11-6-5-10-21(23)27-22(15-18(26-27)16-31-25(2,3)24(28)29)17-8-7-9-20(14-17)32-19-12-13-19/h5-11,14-15,19H,4,12-13,16H2,1-3H3,(H,28,29)
InChIKeyDKXOKVADULSVEH-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.86
Rot. Bonds10

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

2-[[5-(3-cyclopropyloxyphenyl)-1-(2-ethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (PubChem CID 134587031) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-ethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[5-(3-cyclopropyloxyphenyl)-1-(2-ethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
PubChem CID134587031
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name2-[[5-(3-cyclopropyloxyphenyl)-1-(2-ethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCCOc1ccccc1-n1nc(COC(C)(C)C(=O)O)cc1-c1cccc(OC2CC2)c1
InChIInChI=1S/C25H28N2O5/c1-4-30-23-11-6-5-10-21(23)27-22(15-18(26-27)16-31-25(2,3)24(28)29)17-8-7-9-20(14-17)32-19-12-13-19/h5-11,14-15,19H,4,12-13,16H2,1-3H3,(H,28,29)
InChIKeyDKXOKVADULSVEH-UHFFFAOYSA-N
XLogP4.86
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-ethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-ethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (CID 134587031) is 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-ethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-ethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-ethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is CCOc1ccccc1-n1nc(COC(C)(C)C(=O)O)cc1-c1cccc(OC2CC2)c1.
What is the InChIKey of 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-ethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The InChIKey is DKXOKVADULSVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-4-30-23-11-6-5-10-21(23)27-22(15-18(26-27)16-31-25(2,3)24(28)29)17-8-7-9-20(14-17)32-19-12-13-19/h5-11,14-15,19H,4,12-13,16H2,1-3H3,(H,28,29).
What are the key properties of 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-ethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
2-[[5-(3-cyclopropyloxyphenyl)-1-(2-ethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid has a molecular weight of 436.51 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-cyclopropyloxyphenyl)-1-(2-ethoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 134587031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).