3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole

C8H7BrN2S — CID 116856607

IUPAC3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole
SMILESCc1cc(-c2cc(Br)cs2)n[nH]1
InChIInChI=1S/C8H7BrN2S/c1-5-2-7(11-10-5)8-3-6(9)4-12-8/h2-4H,1H3,(H,10,11)
InChIKeyPFZGZZZKNDZHQC-UHFFFAOYSA-N
MW243.13 g/mol
LogP3.21
Rot. Bonds1

About 3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole

3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole (PubChem CID 116856607) has the molecular formula C8H7BrN2S and a molecular weight of 243.13 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole
PubChem CID116856607
Molecular FormulaC8H7BrN2S
Molecular Weight243.13 g/mol
Exact Mass241.95
IUPAC Name3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole
SMILESCc1cc(-c2cc(Br)cs2)n[nH]1
InChIInChI=1S/C8H7BrN2S/c1-5-2-7(11-10-5)8-3-6(9)4-12-8/h2-4H,1H3,(H,10,11)
InChIKeyPFZGZZZKNDZHQC-UHFFFAOYSA-N
XLogP3.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine
CID 82488410
4-(4-bromothiophen-2-yl)-6-methyl-1H-pyrimidin-2-one
CID 116894775
[3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82488409
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine
CID 82478306
[6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857651
5-(4-bromothiophen-2-yl)-1H-pyrazole-3-carbonitrile
CID 116858554
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 107354708
5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine
CID 159722971
2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine
CID 82307623
ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine
CID 144864305
5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038672

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole?
The IUPAC name of 3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole (CID 116856607) is 3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole is Cc1cc(-c2cc(Br)cs2)n[nH]1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole?
The InChIKey is PFZGZZZKNDZHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S/c1-5-2-7(11-10-5)8-3-6(9)4-12-8/h2-4H,1H3,(H,10,11).
What are the key properties of 3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole?
3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole has a molecular weight of 243.13 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 116856607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).