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

C11H9BrN4 — CID 164629071

IUPAC6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2n[nH]c3cc(Br)ccc23)cn1
InChIInChI=1S/C11H9BrN4/c1-16-6-7(5-13-16)11-9-3-2-8(12)4-10(9)14-15-11/h2-6H,1H3,(H,14,15)
InChIKeyPIXKDRYQDMPECX-UHFFFAOYSA-N
MW277.13 g/mol
LogP2.73
Rot. Bonds1

About 6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole

6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole (PubChem CID 164629071) has the molecular formula C11H9BrN4 and a molecular weight of 277.13 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole
PubChem CID164629071
Molecular FormulaC11H9BrN4
Molecular Weight277.13 g/mol
Exact Mass276.00
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2n[nH]c3cc(Br)ccc23)cn1
InChIInChI=1S/C11H9BrN4/c1-16-6-7(5-13-16)11-9-3-2-8(12)4-10(9)14-15-11/h2-6H,1H3,(H,14,15)
InChIKeyPIXKDRYQDMPECX-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 ≤ 500277.13
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole?
The IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole (CID 164629071) is 6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole?
The canonical SMILES for 6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole is Cn1cc(-c2n[nH]c3cc(Br)ccc23)cn1.
What is the InChIKey of 6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole?
The InChIKey is PIXKDRYQDMPECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4/c1-16-6-7(5-13-16)11-9-3-2-8(12)4-10(9)14-15-11/h2-6H,1H3,(H,14,15).
What are the key properties of 6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole?
6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole has a molecular weight of 277.13 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 6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 164629071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).