2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol

C24H27FN2O5 — CID 142378763

IUPAC2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol
SMILESCC(C)(C=O)OCc1cc(-c2cccc(OC3COC3)c2)n(-c2ccccc2F)n1.CO
InChIInChI=1S/C23H23FN2O4.CH4O/c1-23(2,15-27)29-12-17-11-22(26(25-17)21-9-4-3-8-20(21)24)16-6-5-7-18(10-16)30-19-13-28-14-19;1-2/h3-11,15,19H,12-14H2,1-2H3;2H,1H3
InChIKeyCOIPUIKUXBGPIF-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.56
Rot. Bonds8

About 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol

2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol (PubChem CID 142378763) has the molecular formula C24H27FN2O5 and a molecular weight of 442.49 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol
PubChem CID142378763
Molecular FormulaC24H27FN2O5
Molecular Weight442.49 g/mol
Exact Mass442.19
IUPAC Name2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol
SMILESCC(C)(C=O)OCc1cc(-c2cccc(OC3COC3)c2)n(-c2ccccc2F)n1.CO
InChIInChI=1S/C23H23FN2O4.CH4O/c1-23(2,15-27)29-12-17-11-22(26(25-17)21-9-4-3-8-20(21)24)16-6-5-7-18(10-16)30-19-13-28-14-19;1-2/h3-11,15,19H,12-14H2,1-2H3;2H,1H3
InChIKeyCOIPUIKUXBGPIF-UHFFFAOYSA-N
XLogP3.56
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol
CID 135136789
2-[[5-(3-cyclopropyloxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
CID 134587177
2-[[1-(2-bromophenyl)-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
CID 138552988
2-[[1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclobutyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
CID 134587161
2-[[1-(2-chlorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid
CID 134587145
(2R)-2-[[1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid
CID 134603038
methyl (2R)-2-[[1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoate
CID 171771700
2-[[5-(3-cyclopropyloxyphenyl)-1-(1H-indazol-7-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
CID 134587043
2-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid
CID 134587093
2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid
CID 140877315
3-[[1-[2-(azetidin-1-yl)-4-fluorophenyl]-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[1-(2-chlorophenyl)-5-(3,5-diethoxyphenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one
CID 159796819
3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole
CID 150953075

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol?
The IUPAC name of 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol (CID 142378763) is 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol?
The canonical SMILES for 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol is CC(C)(C=O)OCc1cc(-c2cccc(OC3COC3)c2)n(-c2ccccc2F)n1.CO.
What is the InChIKey of 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol?
The InChIKey is COIPUIKUXBGPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4.CH4O/c1-23(2,15-27)29-12-17-11-22(26(25-17)21-9-4-3-8-20(21)24)16-6-5-7-18(10-16)30-19-13-28-14-19;1-2/h3-11,15,19H,12-14H2,1-2H3;2H,1H3.
What are the key properties of 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol?
2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol has a molecular weight of 442.49 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol is sourced from PubChem (CID 142378763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).