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

C21H19F3N2O3 — CID 59492483

IUPAC4-(1-hydroxyethyl)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C21H19F3N2O3/c1-12(28)16-8-13(14-10-25-26(11-14)6-7-27)9-18-19(16)15-4-2-3-5-17(15)20(18,29)21(22,23)24/h2-5,8-12,27-29H,6-7H2,1H3
InChIKeyBLHBAFHVWRRPEJ-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.37
Rot. Bonds4

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

4-(1-hydroxyethyl)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492483) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492483
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC Name4-(1-hydroxyethyl)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
SMILESCC(O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C21H19F3N2O3/c1-12(28)16-8-13(14-10-25-26(11-14)6-7-27)9-18-19(16)15-4-2-3-5-17(15)20(18,29)21(22,23)24/h2-5,8-12,27-29H,6-7H2,1H3
InChIKeyBLHBAFHVWRRPEJ-UHFFFAOYSA-N
XLogP3.37
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-(1-hydroxyethyl)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol (CID 59492483) is 4-(1-hydroxyethyl)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-(1-hydroxyethyl)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-(1-hydroxyethyl)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol is CC(O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 4-(1-hydroxyethyl)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is BLHBAFHVWRRPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c1-12(28)16-8-13(14-10-25-26(11-14)6-7-27)9-18-19(16)15-4-2-3-5-17(15)20(18,29)21(22,23)24/h2-5,8-12,27-29H,6-7H2,1H3.
What are the key properties of 4-(1-hydroxyethyl)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
4-(1-hydroxyethyl)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 404.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).