9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide

C22H20F3N3O3 — CID 59492751

IUPAC9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide
SMILESCN(CCO)C(=O)c1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C22H20F3N3O3/c1-27(7-8-29)20(30)13-9-16(14-11-26-28(2)12-14)19-15-5-3-4-6-17(15)21(31,18(19)10-13)22(23,24)25/h3-6,9-12,29,31H,7-8H2,1-2H3
InChIKeyCVSJBQVGMDWVPM-UHFFFAOYSA-N
MW431.41 g/mol
LogP2.93
Rot. Bonds4

About 9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide

9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide (PubChem CID 59492751) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is 9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide.

Molecular Properties

Compound Name9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide
PubChem CID59492751
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC Name9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide
SMILESCN(CCO)C(=O)c1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C22H20F3N3O3/c1-27(7-8-29)20(30)13-9-16(14-11-26-28(2)12-14)19-15-5-3-4-6-17(15)21(31,18(19)10-13)22(23,24)25/h3-6,9-12,29,31H,7-8H2,1-2H3
InChIKeyCVSJBQVGMDWVPM-UHFFFAOYSA-N
XLogP2.93
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pdhk-IN-7
CID 46191615
4-[1-(2-Hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492860
Azetidin-1-yl-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492980
(+)-2-hydroxymethyl-2-[4-(9-hydroxy-2-methyl-9-trifluoromethyl-9H-fluoren-4-yl)-pyrazol-1-yl]-propane-1,3-diol
CID 46191618
2-[4-[9-Hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol
CID 46191678
(-)-2-(1-ethyl-1H-pyrazol-4-yl)-9-hydroxy-9-trifluoromethyl-9H-fluorene-4-carboxamide
CID 46191680
[9-Hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone
CID 46191681
2-[1-(2,2-Dimethylpropyl)pyrazol-4-yl]-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 46191742
2-[4-[2-(3,3-Dimethylbutyl)-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol
CID 46191743
4-(Hydroxymethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492468
[3-(2-Hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492475
2-[1-(Cyclohexylmethyl)pyrazol-4-yl]-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492481

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide?
The IUPAC name of 9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide (CID 59492751) is 9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide.
What is the SMILES notation for 9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide?
The canonical SMILES for 9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide is CN(CCO)C(=O)c1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide?
The InChIKey is CVSJBQVGMDWVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c1-27(7-8-29)20(30)13-9-16(14-11-26-28(2)12-14)19-15-5-3-4-6-17(15)21(31,18(19)10-13)22(23,24)25/h3-6,9-12,29,31H,7-8H2,1-2H3.
What are the key properties of 9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide?
9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide has a molecular weight of 431.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-N-(2-hydroxyethyl)-N-methyl-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluorene-2-carboxamide is sourced from PubChem (CID 59492751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).