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

C11H8BrClN4 — CID 164622174

IUPAC5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2n[nH]c3cc(Cl)c(Br)cc23)cn1
InChIInChI=1S/C11H8BrClN4/c1-17-5-6(4-14-17)11-7-2-8(12)9(13)3-10(7)15-16-11/h2-5H,1H3,(H,15,16)
InChIKeyRXLLDCIJIPIAPI-UHFFFAOYSA-N
MW311.57 g/mol
LogP3.38
Rot. Bonds1

About 5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole

5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole (PubChem CID 164622174) has the molecular formula C11H8BrClN4 and a molecular weight of 311.57 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole
PubChem CID164622174
Molecular FormulaC11H8BrClN4
Molecular Weight311.57 g/mol
Exact Mass309.96
IUPAC Name5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2n[nH]c3cc(Cl)c(Br)cc23)cn1
InChIInChI=1S/C11H8BrClN4/c1-17-5-6(4-14-17)11-7-2-8(12)9(13)3-10(7)15-16-11/h2-5H,1H3,(H,15,16)
InChIKeyRXLLDCIJIPIAPI-UHFFFAOYSA-N
XLogP3.38
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole?
The IUPAC name of 5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole (CID 164622174) is 5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole?
The canonical SMILES for 5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole is Cn1cc(-c2n[nH]c3cc(Cl)c(Br)cc23)cn1.
What is the InChIKey of 5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole?
The InChIKey is RXLLDCIJIPIAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN4/c1-17-5-6(4-14-17)11-7-2-8(12)9(13)3-10(7)15-16-11/h2-5H,1H3,(H,15,16).
What are the key properties of 5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole?
5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole has a molecular weight of 311.57 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 164622174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).