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

C21H21FN2O4 — CID 134587001

IUPAC2-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCOc1cccc(-c2cc(COC(C)(C)C(=O)O)nn2-c2ccccc2F)c1
InChIInChI=1S/C21H21FN2O4/c1-21(2,20(25)26)28-13-15-12-19(14-7-6-8-16(11-14)27-3)24(23-15)18-10-5-4-9-17(18)22/h4-12H,13H2,1-3H3,(H,25,26)
InChIKeyFMKIKNLULQKNTP-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.07
Rot. Bonds7

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

2-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (PubChem CID 134587001) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
PubChem CID134587001
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name2-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCOc1cccc(-c2cc(COC(C)(C)C(=O)O)nn2-c2ccccc2F)c1
InChIInChI=1S/C21H21FN2O4/c1-21(2,20(25)26)28-13-15-12-19(14-7-6-8-16(11-14)27-3)24(23-15)18-10-5-4-9-17(18)22/h4-12H,13H2,1-3H3,(H,25,26)
InChIKeyFMKIKNLULQKNTP-UHFFFAOYSA-N
XLogP4.07
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (CID 134587001) is 2-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is COc1cccc(-c2cc(COC(C)(C)C(=O)O)nn2-c2ccccc2F)c1.
What is the InChIKey of 2-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The InChIKey is FMKIKNLULQKNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-21(2,20(25)26)28-13-15-12-19(14-7-6-8-16(11-14)27-3)24(23-15)18-10-5-4-9-17(18)22/h4-12H,13H2,1-3H3,(H,25,26).
What are the key properties of 2-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
2-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid has a molecular weight of 384.41 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 134587001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).