(3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole

C20H18F2N2 — CID 1274241

IUPAC(3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole
SMILESFc1ccc(/C=C2/CCCC3=C2NN[C@@H]3c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18F2N2/c21-16-8-4-13(5-9-16)12-15-2-1-3-18-19(23-24-20(15)18)14-6-10-17(22)11-7-14/h4-12,19,23-24H,1-3H2/b15-12-/t19-/m1/s1
InChIKeyIWBSFHONYGIUCF-LJQBUTKESA-N
MW324.37 g/mol
LogP4.64
Rot. Bonds2

About (3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole

(3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole (PubChem CID 1274241) has the molecular formula C20H18F2N2 and a molecular weight of 324.37 g/mol. Its IUPAC name is (3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole.

Molecular Properties

Compound Name(3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole
PubChem CID1274241
Molecular FormulaC20H18F2N2
Molecular Weight324.37 g/mol
Exact Mass324.14
IUPAC Name(3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole
SMILESFc1ccc(/C=C2/CCCC3=C2NN[C@@H]3c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18F2N2/c21-16-8-4-13(5-9-16)12-15-2-1-3-18-19(23-24-20(15)18)14-6-10-17(22)11-7-14/h4-12,19,23-24H,1-3H2/b15-12-/t19-/m1/s1
InChIKeyIWBSFHONYGIUCF-LJQBUTKESA-N
XLogP4.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole?
The IUPAC name of (3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole (CID 1274241) is (3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole.
What is the SMILES notation for (3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole?
The canonical SMILES for (3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole is Fc1ccc(/C=C2/CCCC3=C2NN[C@@H]3c2ccc(F)cc2)cc1.
What is the InChIKey of (3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole?
The InChIKey is IWBSFHONYGIUCF-LJQBUTKESA-N. The full InChI is InChI=1S/C20H18F2N2/c21-16-8-4-13(5-9-16)12-15-2-1-3-18-19(23-24-20(15)18)14-6-10-17(22)11-7-14/h4-12,19,23-24H,1-3H2/b15-12-/t19-/m1/s1.
What are the key properties of (3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole?
(3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole has a molecular weight of 324.37 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-1,2,3,4,5,6-hexahydroindazole is sourced from PubChem (CID 1274241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).