2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide

C10H9BrN4S — CID 114768034

IUPAC2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(-n2cc(Br)cn2)n1
InChIInChI=1S/C10H9BrN4S/c1-6-2-7(10(12)16)3-9(14-6)15-5-8(11)4-13-15/h2-5H,1H3,(H2,12,16)
InChIKeyCXXHRBJVEIHWEN-UHFFFAOYSA-N
MW297.18 g/mol
LogP1.97
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide

2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide (PubChem CID 114768034) has the molecular formula C10H9BrN4S and a molecular weight of 297.18 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide
PubChem CID114768034
Molecular FormulaC10H9BrN4S
Molecular Weight297.18 g/mol
Exact Mass295.97
IUPAC Name2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(-n2cc(Br)cn2)n1
InChIInChI=1S/C10H9BrN4S/c1-6-2-7(10(12)16)3-9(14-6)15-5-8(11)4-13-15/h2-5H,1H3,(H2,12,16)
InChIKeyCXXHRBJVEIHWEN-UHFFFAOYSA-N
XLogP1.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromopyrazol-1-yl)benzenecarbothioamide
CID 61034766
2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine
CID 102160368
2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768027
2-(4-bromopyrazol-1-yl)-5-methylbenzenecarbothioamide
CID 107929433
2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carbothioamide
CID 102743945
2-(3,5-dioxopiperazin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114767776
2-(2,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768007
2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carbothioamide
CID 114767295
2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carbothioamide
CID 114767266
2-(3-hydroxypiperidin-1-yl)-6-methylpyridine-4-carbothioamide
CID 114767338
6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine
CID 112559857
4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine
CID 80901012

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide (CID 114768034) is 2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(-n2cc(Br)cn2)n1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide?
The InChIKey is CXXHRBJVEIHWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4S/c1-6-2-7(10(12)16)3-9(14-6)15-5-8(11)4-13-15/h2-5H,1H3,(H2,12,16).
What are the key properties of 2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide?
2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide has a molecular weight of 297.18 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114768034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).