2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one

C108H94F15N11O16 — CID 161412801

IUPAC2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one
SMILESCC(=O)CCCOc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.CC(=O)COc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.CCn1cc(-c2cc(C(N)=O)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)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
InChIInChI=1S/C23H19F3N2O3.2C22H21F3N2O4.C21H17F3N2O3.C20H16F3N3O2/c1-14(29)5-4-8-31-16-9-18(15-11-27-13-28-12-15)21-17-6-2-3-7-19(17)22(30,20(21)10-16)23(24,25)26;2*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;1-12(27)11-29-14-7-16(13-9-25-26(2)10-13)19-15-5-3-4-6-17(15)20(28,18(19)8-14)21(22,23)24;1-2-26-10-12(9-25-26)11-7-14(18(24)27)17-13-5-3-4-6-15(13)19(28,16(17)8-11)20(21,22)23/h2-3,6-7,9-13,30H,4-5,8H2,1H3;2*2-9,28-31H,10-12H2,1H3;3-10,28H,11H2,1-2H3;3-10,28H,2H2,1H3,(H2,24,27)
InChIKeyVVRVKOPKNKXHDI-UHFFFAOYSA-N
MW2086.97 g/mol
LogP16.57
Rot. Bonds23

About 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one

2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one (PubChem CID 161412801) has the molecular formula C108H94F15N11O16 and a molecular weight of 2086.97 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one
PubChem CID161412801
Molecular FormulaC108H94F15N11O16
Molecular Weight2086.97 g/mol
Exact Mass2085.66
IUPAC Name2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one
SMILESCC(=O)CCCOc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.CC(=O)COc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.CCn1cc(-c2cc(C(N)=O)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)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
InChIInChI=1S/C23H19F3N2O3.2C22H21F3N2O4.C21H17F3N2O3.C20H16F3N3O2/c1-14(29)5-4-8-31-16-9-18(15-11-27-13-28-12-15)21-17-6-2-3-7-19(17)22(30,20(21)10-16)23(24,25)26;2*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;1-12(27)11-29-14-7-16(13-9-25-26(2)10-13)19-15-5-3-4-6-17(15)20(28,18(19)8-14)21(22,23)24;1-2-26-10-12(9-25-26)11-7-14(18(24)27)17-13-5-3-4-6-15(13)19(28,16(17)8-11)20(21,22)23/h2-3,6-7,9-13,30H,4-5,8H2,1H3;2*2-9,28-31H,10-12H2,1H3;3-10,28H,11H2,1-2H3;3-10,28H,2H2,1H3,(H2,24,27)
InChIKeyVVRVKOPKNKXHDI-UHFFFAOYSA-N
XLogP16.57
TPSA415.28 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002086.97
LogP ≤ 516.57
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one (CID 161412801) is 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one is CC(=O)CCCOc1cc(-c2cncnc2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.CC(=O)COc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.CCn1cc(-c2cc(C(N)=O)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)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.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one?
The InChIKey is VVRVKOPKNKXHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3.2C22H21F3N2O4.C21H17F3N2O3.C20H16F3N3O2/c1-14(29)5-4-8-31-16-9-18(15-11-27-13-28-12-15)21-17-6-2-3-7-19(17)22(30,20(21)10-16)23(24,25)26;2*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;1-12(27)11-29-14-7-16(13-9-25-26(2)10-13)19-15-5-3-4-6-17(15)20(28,18(19)8-14)21(22,23)24;1-2-26-10-12(9-25-26)11-7-14(18(24)27)17-13-5-3-4-6-15(13)19(28,16(17)8-11)20(21,22)23/h2-3,6-7,9-13,30H,4-5,8H2,1H3;2*2-9,28-31H,10-12H2,1H3;3-10,28H,11H2,1-2H3;3-10,28H,2H2,1H3,(H2,24,27).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one?
2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one has a molecular weight of 2086.97 g/mol, XLogP of 16.57, 23 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide;bis(2-(hydroxymethyl)-2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol);1-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-one;5-[9-hydroxy-4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-2-yl]oxypentan-2-one is sourced from PubChem (CID 161412801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).