4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol

C22H19F3N2O2 — CID 162559121

IUPAC4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
SMILESC=C(C)c1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C22H19F3N2O2/c1-13(2)14-9-17(15-11-26-27(12-15)7-8-28)20-16-5-3-4-6-18(16)21(29,19(20)10-14)22(23,24)25/h3-6,9-12,28-29H,1,7-8H2,2H3
InChIKeyARAMACJUTNFQEK-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.35
Rot. Bonds4

About 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol

4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 162559121) has the molecular formula C22H19F3N2O2 and a molecular weight of 400.40 g/mol. Its IUPAC name is 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
PubChem CID162559121
Molecular FormulaC22H19F3N2O2
Molecular Weight400.40 g/mol
Exact Mass400.14
IUPAC Name4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
SMILESC=C(C)c1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C22H19F3N2O2/c1-13(2)14-9-17(15-11-26-27(12-15)7-8-28)20-16-5-3-4-6-18(16)21(29,19(20)10-14)22(23,24)25/h3-6,9-12,28-29H,1,7-8H2,2H3
InChIKeyARAMACJUTNFQEK-UHFFFAOYSA-N
XLogP4.35
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-9-(trifluoromethyl)fluoren-9-ol
CID 46191615
2-(2,2-dimethylpropyl)-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492934
5-[4-[(9R)-9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]pentan-2-one
CID 71164723
2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 162559147
1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59493033
4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492700
[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 59493108
[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 59493229
2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492745
9-[difluoro(phosphanyl)methyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-(2-hydroxypropan-2-yl)fluoren-9-ol
CID 143972382
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol (CID 162559121) is 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol is C=C(C)c1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is ARAMACJUTNFQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O2/c1-13(2)14-9-17(15-11-26-27(12-15)7-8-28)20-16-5-3-4-6-18(16)21(29,19(20)10-14)22(23,24)25/h3-6,9-12,28-29H,1,7-8H2,2H3.
What are the key properties of 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol?
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 400.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 162559121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).