5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole

C12H10BrFN4 — CID 139530343

IUPAC5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole
SMILESCn1cc(-c2nn(C)c3ccc(Br)c(F)c23)cn1
InChIInChI=1S/C12H10BrFN4/c1-17-6-7(5-15-17)12-10-9(18(2)16-12)4-3-8(13)11(10)14/h3-6H,1-2H3
InChIKeyNRYPKJMXEHDHMI-UHFFFAOYSA-N
MW309.14 g/mol
LogP2.88
Rot. Bonds1

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

5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole (PubChem CID 139530343) has the molecular formula C12H10BrFN4 and a molecular weight of 309.14 g/mol. Its IUPAC name is 5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole.

Molecular Properties

Compound Name5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole
PubChem CID139530343
Molecular FormulaC12H10BrFN4
Molecular Weight309.14 g/mol
Exact Mass308.01
IUPAC Name5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole
SMILESCn1cc(-c2nn(C)c3ccc(Br)c(F)c23)cn1
InChIInChI=1S/C12H10BrFN4/c1-17-6-7(5-15-17)12-10-9(18(2)16-12)4-3-8(13)11(10)14/h3-6H,1-2H3
InChIKeyNRYPKJMXEHDHMI-UHFFFAOYSA-N
XLogP2.88
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole?
The IUPAC name of 5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole (CID 139530343) is 5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole.
What is the SMILES notation for 5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole?
The canonical SMILES for 5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole is Cn1cc(-c2nn(C)c3ccc(Br)c(F)c23)cn1.
What is the InChIKey of 5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole?
The InChIKey is NRYPKJMXEHDHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4/c1-17-6-7(5-15-17)12-10-9(18(2)16-12)4-3-8(13)11(10)14/h3-6H,1-2H3.
What are the key properties of 5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole?
5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole has a molecular weight of 309.14 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole is sourced from PubChem (CID 139530343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).