1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C17H19F3N2O — CID 24826366

IUPAC1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCCCOc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C17H19F3N2O/c1-2-11-23-13-9-7-12(8-10-13)22-15-6-4-3-5-14(15)16(21-22)17(18,19)20/h7-10H,2-6,11H2,1H3
InChIKeyHDVUFHTYWAKWSV-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.56
Rot. Bonds4

About 1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 24826366) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is 1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID24826366
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCCCOc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C17H19F3N2O/c1-2-11-23-13-9-7-12(8-10-13)22-15-6-4-3-5-14(15)16(21-22)17(18,19)20/h7-10H,2-6,11H2,1H3
InChIKeyHDVUFHTYWAKWSV-UHFFFAOYSA-N
XLogP4.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 24826366) is 1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is CCCOc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1.
What is the InChIKey of 1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is HDVUFHTYWAKWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O/c1-2-11-23-13-9-7-12(8-10-13)22-15-6-4-3-5-14(15)16(21-22)17(18,19)20/h7-10H,2-6,11H2,1H3.
What are the key properties of 1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 324.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyphenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 24826366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).