3-bromo-1-(thiophen-3-ylmethyl)pyrazole

C8H7BrN2S — CID 131182014

IUPAC3-bromo-1-(thiophen-3-ylmethyl)pyrazole
SMILESBrc1ccn(Cc2ccsc2)n1
InChIInChI=1S/C8H7BrN2S/c9-8-1-3-11(10-8)5-7-2-4-12-6-7/h1-4,6H,5H2
InChIKeyZCORNSJJRRWEJF-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.76
Rot. Bonds2

About 3-bromo-1-(thiophen-3-ylmethyl)pyrazole

3-bromo-1-(thiophen-3-ylmethyl)pyrazole (PubChem CID 131182014) has the molecular formula C8H7BrN2S and a molecular weight of 243.13 g/mol. Its IUPAC name is 3-bromo-1-(thiophen-3-ylmethyl)pyrazole.

Molecular Properties

Compound Name3-bromo-1-(thiophen-3-ylmethyl)pyrazole
PubChem CID131182014
Molecular FormulaC8H7BrN2S
Molecular Weight243.13 g/mol
Exact Mass241.95
IUPAC Name3-bromo-1-(thiophen-3-ylmethyl)pyrazole
SMILESBrc1ccn(Cc2ccsc2)n1
InChIInChI=1S/C8H7BrN2S/c9-8-1-3-11(10-8)5-7-2-4-12-6-7/h1-4,6H,5H2
InChIKeyZCORNSJJRRWEJF-UHFFFAOYSA-N
XLogP2.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-bromo-1-[(2-chlorophenyl)methyl]pyrazole
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5-bromo-6-chloro-3-(thiophen-3-ylmethyl)pyrimidin-4-one
CID 114583667
4,5-dibromo-2-(thiophen-3-ylmethyl)pyridazin-3-one
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3-bromo-1-(thiophen-3-ylmethyl)pyrrolidine
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1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(thiophen-3-ylmethyl)pyrazole?
The IUPAC name of 3-bromo-1-(thiophen-3-ylmethyl)pyrazole (CID 131182014) is 3-bromo-1-(thiophen-3-ylmethyl)pyrazole.
What is the SMILES notation for 3-bromo-1-(thiophen-3-ylmethyl)pyrazole?
The canonical SMILES for 3-bromo-1-(thiophen-3-ylmethyl)pyrazole is Brc1ccn(Cc2ccsc2)n1.
What is the InChIKey of 3-bromo-1-(thiophen-3-ylmethyl)pyrazole?
The InChIKey is ZCORNSJJRRWEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S/c9-8-1-3-11(10-8)5-7-2-4-12-6-7/h1-4,6H,5H2.
What are the key properties of 3-bromo-1-(thiophen-3-ylmethyl)pyrazole?
3-bromo-1-(thiophen-3-ylmethyl)pyrazole has a molecular weight of 243.13 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(thiophen-3-ylmethyl)pyrazole is sourced from PubChem (CID 131182014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).