2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol

C24H27FN2O5 — CID 135136789

IUPAC2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol
SMILESCC(C)(OCc1cc(-c2cccc(OCC3COC3)c2)n(-c2ccccc2F)n1)C(O)O
InChIInChI=1S/C24H27FN2O5/c1-24(2,23(28)29)32-15-18-11-22(27(26-18)21-9-4-3-8-20(21)25)17-6-5-7-19(10-17)31-14-16-12-30-13-16/h3-11,16,23,28-29H,12-15H2,1-2H3
InChIKeyQQFSRGBIQFYRJG-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.31
Rot. Bonds9

About 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol

2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol (PubChem CID 135136789) 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-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol
PubChem CID135136789
Molecular FormulaC24H27FN2O5
Molecular Weight442.49 g/mol
Exact Mass442.19
IUPAC Name2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol
SMILESCC(C)(OCc1cc(-c2cccc(OCC3COC3)c2)n(-c2ccccc2F)n1)C(O)O
InChIInChI=1S/C24H27FN2O5/c1-24(2,23(28)29)32-15-18-11-22(27(26-18)21-9-4-3-8-20(21)25)17-6-5-7-19(10-17)31-14-16-12-30-13-16/h3-11,16,23,28-29H,12-15H2,1-2H3
InChIKeyQQFSRGBIQFYRJG-UHFFFAOYSA-N
XLogP3.31
TPSA85.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(2-chlorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid
CID 134587145
2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-yloxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanal;methanol
CID 142378763
3-[[1-(2-chlorophenyl)-5-[3-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one
CID 161014450
2-[[1-[(3-methoxyphenyl)methyl]-5-[3-(2-methylpropoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol
CID 135136940
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
(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
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
2-[[5-(3-cyclopropyloxyphenyl)-1-(1H-indazol-7-yl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
CID 134587043
(2R)-2-[[5-[3-(2,2-dimethylpropoxy)phenyl]-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid
CID 134587129
2-[[5-(3-cyclopropyloxyphenyl)-1-(1-methylindazol-7-yl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid
CID 134587093

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol?
The IUPAC name of 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol (CID 135136789) is 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol?
The canonical SMILES for 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol is CC(C)(OCc1cc(-c2cccc(OCC3COC3)c2)n(-c2ccccc2F)n1)C(O)O.
What is the InChIKey of 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol?
The InChIKey is QQFSRGBIQFYRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O5/c1-24(2,23(28)29)32-15-18-11-22(27(26-18)21-9-4-3-8-20(21)25)17-6-5-7-19(10-17)31-14-16-12-30-13-16/h3-11,16,23,28-29H,12-15H2,1-2H3.
What are the key properties of 2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol?
2-[[1-(2-fluorophenyl)-5-[3-(oxetan-3-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol has a molecular weight of 442.49 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 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-ylmethoxy)phenyl]pyrazol-3-yl]methoxy]-2-methylpropane-1,1-diol is sourced from PubChem (CID 135136789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).