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

C25H30N2O5 — CID 134587014

IUPAC2-[[1-(2-methoxyphenyl)-5-[3-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCOc1ccccc1-n1nc(COC(C)(C)C(=O)O)cc1-c1cccc(OCC(C)C)c1
InChIInChI=1S/C25H30N2O5/c1-17(2)15-31-20-10-8-9-18(13-20)22-14-19(16-32-25(3,4)24(28)29)26-27(22)21-11-6-7-12-23(21)30-5/h6-14,17H,15-16H2,1-5H3,(H,28,29)
InChIKeyQILWKYXLUAOLCJ-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.96
Rot. Bonds10

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

2-[[1-(2-methoxyphenyl)-5-[3-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid (PubChem CID 134587014) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-[[1-(2-methoxyphenyl)-5-[3-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(2-methoxyphenyl)-5-[3-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid
PubChem CID134587014
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name2-[[1-(2-methoxyphenyl)-5-[3-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCOc1ccccc1-n1nc(COC(C)(C)C(=O)O)cc1-c1cccc(OCC(C)C)c1
InChIInChI=1S/C25H30N2O5/c1-17(2)15-31-20-10-8-9-18(13-20)22-14-19(16-32-25(3,4)24(28)29)26-27(22)21-11-6-7-12-23(21)30-5/h6-14,17H,15-16H2,1-5H3,(H,28,29)
InChIKeyQILWKYXLUAOLCJ-UHFFFAOYSA-N
XLogP4.96
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.96
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-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(2-methoxyphenyl)-5-[3-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid (CID 134587014) is 2-[[1-(2-methoxyphenyl)-5-[3-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(2-methoxyphenyl)-5-[3-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(2-methoxyphenyl)-5-[3-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid is COc1ccccc1-n1nc(COC(C)(C)C(=O)O)cc1-c1cccc(OCC(C)C)c1.
What is the InChIKey of 2-[[1-(2-methoxyphenyl)-5-[3-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The InChIKey is QILWKYXLUAOLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-17(2)15-31-20-10-8-9-18(13-20)22-14-19(16-32-25(3,4)24(28)29)26-27(22)21-11-6-7-12-23(21)30-5/h6-14,17H,15-16H2,1-5H3,(H,28,29).
What are the key properties of 2-[[1-(2-methoxyphenyl)-5-[3-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
2-[[1-(2-methoxyphenyl)-5-[3-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid has a molecular weight of 438.52 g/mol, XLogP of 4.96, 10 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-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 134587014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).