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

C11H9BrN4 — CID 83446614

IUPAC5-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2n[nH]c3ccc(Br)cc23)cn1
InChIInChI=1S/C11H9BrN4/c1-16-6-7(5-13-16)11-9-4-8(12)2-3-10(9)14-15-11/h2-6H,1H3,(H,14,15)
InChIKeyZEAPADMPTPNBJG-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.73
Rot. Bonds1

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

5-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole (PubChem CID 83446614) has the molecular formula C11H9BrN4 and a molecular weight of 277.12 g/mol. Its IUPAC name is 5-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name5-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole
PubChem CID83446614
Molecular FormulaC11H9BrN4
Molecular Weight277.12 g/mol
Exact Mass276.00
IUPAC Name5-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2n[nH]c3ccc(Br)cc23)cn1
InChIInChI=1S/C11H9BrN4/c1-16-6-7(5-13-16)11-9-4-8(12)2-3-10(9)14-15-11/h2-6H,1H3,(H,14,15)
InChIKeyZEAPADMPTPNBJG-UHFFFAOYSA-N
XLogP2.73
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole?
The IUPAC name of 5-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole (CID 83446614) is 5-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 5-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole?
The canonical SMILES for 5-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole is Cn1cc(-c2n[nH]c3ccc(Br)cc23)cn1.
What is the InChIKey of 5-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole?
The InChIKey is ZEAPADMPTPNBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4/c1-16-6-7(5-13-16)11-9-4-8(12)2-3-10(9)14-15-11/h2-6H,1H3,(H,14,15).
What are the key properties of 5-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole?
5-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole has a molecular weight of 277.12 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 83446614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).