4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol

C24H23F3N2O2 — CID 143972629

IUPAC4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol
SMILESC/C=C/c1cc(-c2cnn(C(CC)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C24H23F3N2O2/c1-3-7-15-10-19(16-12-28-29(13-16)17(4-2)14-30)22-18-8-5-6-9-20(18)23(31,21(22)11-15)24(25,26)27/h3,5-13,17,30-31H,4,14H2,1-2H3/b7-3+
InChIKeyQXOXTJMHNXIWOF-XVNBXDOJSA-N
MW428.45 g/mol
LogP5.31
Rot. Bonds5

About 4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol

4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 143972629) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is 4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol
PubChem CID143972629
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Name4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol
SMILESC/C=C/c1cc(-c2cnn(C(CC)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C24H23F3N2O2/c1-3-7-15-10-19(16-12-28-29(13-16)17(4-2)14-30)22-18-8-5-6-9-20(18)23(31,21(22)11-15)24(25,26)27/h3,5-13,17,30-31H,4,14H2,1-2H3/b7-3+
InChIKeyQXOXTJMHNXIWOF-XVNBXDOJSA-N
XLogP5.31
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.31
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
2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 162559147
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
CID 162559121
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-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492700
2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492745
2-fluoro-4-[1-[1-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492888
1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59493033
1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59492983
2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-fluorophenyl)propanehydrazide
CID 171491108
N-(azepan-1-yl)-2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide
CID 171491095

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol (CID 143972629) is 4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol is C/C=C/c1cc(-c2cnn(C(CC)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is QXOXTJMHNXIWOF-XVNBXDOJSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c1-3-7-15-10-19(16-12-28-29(13-16)17(4-2)14-30)22-18-8-5-6-9-20(18)23(31,21(22)11-15)24(25,26)27/h3,5-13,17,30-31H,4,14H2,1-2H3/b7-3+.
What are the key properties of 4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol?
4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 428.45 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-hydroxybutan-2-yl)pyrazol-4-yl]-2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 143972629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).