5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole

C12H15BrN4 — CID 14823442

IUPAC5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole
SMILESCN1CCN(c2n[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C12H15BrN4/c1-16-4-6-17(7-5-16)12-10-8-9(13)2-3-11(10)14-15-12/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyDUEAWBRVKKCTFY-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.08
Rot. Bonds1

About 5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole

5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole (PubChem CID 14823442) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole.

Molecular Properties

Compound Name5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole
PubChem CID14823442
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole
SMILESCN1CCN(c2n[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C12H15BrN4/c1-16-4-6-17(7-5-16)12-10-8-9(13)2-3-11(10)14-15-12/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyDUEAWBRVKKCTFY-UHFFFAOYSA-N
XLogP2.08
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole?
The IUPAC name of 5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole (CID 14823442) is 5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole.
What is the SMILES notation for 5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole?
The canonical SMILES for 5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole is CN1CCN(c2n[nH]c3ccc(Br)cc23)CC1.
What is the InChIKey of 5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole?
The InChIKey is DUEAWBRVKKCTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-16-4-6-17(7-5-16)12-10-8-9(13)2-3-11(10)14-15-12/h2-3,8H,4-7H2,1H3,(H,14,15).
What are the key properties of 5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole?
5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole has a molecular weight of 295.18 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 14823442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).