bis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane

C87H84F12N8O15 — CID 159110857

IUPACbis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane
SMILESC.CC(CO)(CO)n1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1.Cc1cc(-c2cnn(C(CO)(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2.Cc1cc(-c2cnn(C(CO)(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2.OCC(CO)(CO)n1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1
InChIInChI=1S/2C22H21F3N2O4.C21H19F3N2O4.C21H19F3N2O3.CH4/c2*1-13-6-16(14-8-26-27(9-14)20(10-28,11-29)12-30)19-15-4-2-3-5-17(15)21(31,18(19)7-13)22(23,24)25;22-21(23,24)20(30)16-6-2-1-4-15(16)18-14(5-3-7-17(18)20)13-8-25-26(9-13)19(10-27,11-28)12-29;1-19(11-27,12-28)26-10-13(9-25-26)14-6-4-8-17-18(14)15-5-2-3-7-16(15)20(17,29)21(22,23)24;/h2*2-9,28-31H,10-12H2,1H3;1-9,27-30H,10-12H2;2-10,27-29H,11-12H2,1H3;1H4/t2*21-;2*20-;/m1111./s1
InChIKeyKELVZOZXTRTGRL-QNSHKSJDSA-N
MW1709.65 g/mol
LogP10.28
Rot. Bonds19

About bis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane

bis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane (PubChem CID 159110857) has the molecular formula C87H84F12N8O15 and a molecular weight of 1709.65 g/mol. Its IUPAC name is bis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane.

Molecular Properties

Compound Namebis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane
PubChem CID159110857
Molecular FormulaC87H84F12N8O15
Molecular Weight1709.65 g/mol
Exact Mass1708.59
IUPAC Namebis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane
SMILESC.CC(CO)(CO)n1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1.Cc1cc(-c2cnn(C(CO)(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2.Cc1cc(-c2cnn(C(CO)(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2.OCC(CO)(CO)n1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1
InChIInChI=1S/2C22H21F3N2O4.C21H19F3N2O4.C21H19F3N2O3.CH4/c2*1-13-6-16(14-8-26-27(9-14)20(10-28,11-29)12-30)19-15-4-2-3-5-17(15)21(31,18(19)7-13)22(23,24)25;22-21(23,24)20(30)16-6-2-1-4-15(16)18-14(5-3-7-17(18)20)13-8-25-26(9-13)19(10-27,11-28)12-29;1-19(11-27,12-28)26-10-13(9-25-26)14-6-4-8-17-18(14)15-5-2-3-7-16(15)20(17,29)21(22,23)24;/h2*2-9,28-31H,10-12H2,1H3;1-9,27-30H,10-12H2;2-10,27-29H,11-12H2,1H3;1H4/t2*21-;2*20-;/m1111./s1
InChIKeyKELVZOZXTRTGRL-QNSHKSJDSA-N
XLogP10.28
TPSA374.73 Ų
H-Bond Donors15
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001709.65
LogP ≤ 510.28
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1023

Analyze bis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane with MolForge

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Related Compounds

2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropanoic acid
CID 59492526
2-ethyl-2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol
CID 59492758
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-9-(trifluoromethyl)fluoren-9-ol
CID 46191615
2-amino-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanoic acid
CID 159871794
2-(hydroxymethyl)-2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]propane-1,3-diol
CID 138711832
5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one
CID 71164723
N-[3-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propyl]methanesulfonamide
CID 59492886
(9R)-2-methyl-4-[1-[3-(2-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59493080
4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492700
(9R)-2-methyl-4-[1-[3-(1-methyltetrazol-5-yl)propyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59493180
2-(2,2-dimethylpropyl)-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492934
3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide
CID 59492737

Frequently Asked Questions

What is the IUPAC name of bis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane?
The IUPAC name of bis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane (CID 159110857) is bis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane.
What is the SMILES notation for bis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane?
The canonical SMILES for bis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane is C.CC(CO)(CO)n1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1.Cc1cc(-c2cnn(C(CO)(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2.Cc1cc(-c2cnn(C(CO)(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2.OCC(CO)(CO)n1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1.
What is the InChIKey of bis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane?
The InChIKey is KELVZOZXTRTGRL-QNSHKSJDSA-N. The full InChI is InChI=1S/2C22H21F3N2O4.C21H19F3N2O4.C21H19F3N2O3.CH4/c2*1-13-6-16(14-8-26-27(9-14)20(10-28,11-29)12-30)19-15-4-2-3-5-17(15)21(31,18(19)7-13)22(23,24)25;22-21(23,24)20(30)16-6-2-1-4-15(16)18-14(5-3-7-17(18)20)13-8-25-26(9-13)19(10-27,11-28)12-29;1-19(11-27,12-28)26-10-13(9-25-26)14-6-4-8-17-18(14)15-5-2-3-7-16(15)20(17,29)21(22,23)24;/h2*2-9,28-31H,10-12H2,1H3;1-9,27-30H,10-12H2;2-10,27-29H,11-12H2,1H3;1H4/t2*21-;2*20-;/m1111./s1.
What are the key properties of bis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane?
bis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane has a molecular weight of 1709.65 g/mol, XLogP of 10.28, 19 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);2-(hydroxymethyl)-2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol;2-[4-[(9R)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2-methylpropane-1,3-diol;methane is sourced from PubChem (CID 159110857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).