3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole

C15H17BrN2 — CID 165488279

IUPAC3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCCC1CCc2[nH]nc(-c3ccc(Br)cc3)c2C1
InChIInChI=1S/C15H17BrN2/c1-2-10-3-8-14-13(9-10)15(18-17-14)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyXFNVWISWTQNEMK-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.35
Rot. Bonds2

About 3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole

3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 165488279) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID165488279
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCCC1CCc2[nH]nc(-c3ccc(Br)cc3)c2C1
InChIInChI=1S/C15H17BrN2/c1-2-10-3-8-14-13(9-10)15(18-17-14)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyXFNVWISWTQNEMK-UHFFFAOYSA-N
XLogP4.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole (CID 165488279) is 3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole is CCC1CCc2[nH]nc(-c3ccc(Br)cc3)c2C1.
What is the InChIKey of 3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is XFNVWISWTQNEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-2-10-3-8-14-13(9-10)15(18-17-14)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,17,18).
What are the key properties of 3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole?
3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 305.22 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-ethyl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 165488279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).