1-[(5-bromothiophen-3-yl)methyl]pyrazole

C8H7BrN2S — CID 131201578

IUPAC1-[(5-bromothiophen-3-yl)methyl]pyrazole
SMILESBrc1cc(Cn2cccn2)cs1
InChIInChI=1S/C8H7BrN2S/c9-8-4-7(6-12-8)5-11-3-1-2-10-11/h1-4,6H,5H2
InChIKeyHGBHVEMRUMFDME-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.76
Rot. Bonds2

About 1-[(5-bromothiophen-3-yl)methyl]pyrazole

1-[(5-bromothiophen-3-yl)methyl]pyrazole (PubChem CID 131201578) has the molecular formula C8H7BrN2S and a molecular weight of 243.13 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methyl]pyrazole
PubChem CID131201578
Molecular FormulaC8H7BrN2S
Molecular Weight243.13 g/mol
Exact Mass241.95
IUPAC Name1-[(5-bromothiophen-3-yl)methyl]pyrazole
SMILESBrc1cc(Cn2cccn2)cs1
InChIInChI=1S/C8H7BrN2S/c9-8-4-7(6-12-8)5-11-3-1-2-10-11/h1-4,6H,5H2
InChIKeyHGBHVEMRUMFDME-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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N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(3-thienylmethyl)propan-2-amine
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4-[2-(1H-pyrazol-1-yl)ethyl]-1-(3-thienylmethyl)piperidine
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2-Bromo-5-(2-pyrazolyl)thiophene
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1-(Thiophen-3-ylmethyl)pyrazole
CID 63812394
1-(3-Bromothiophen-2-yl)pyrazole
CID 68656065
1-(3-Methylthiophen-2-yl)pyrazole
CID 69827317
1-(1-Thiophen-3-ylethenyl)pyrazole
CID 102474620
1-(2-Thiophen-3-ylethynyl)pyrazole
CID 141223327
(2-Pyrazol-1-ylthiophen-3-yl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]pyrazole?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]pyrazole (CID 131201578) is 1-[(5-bromothiophen-3-yl)methyl]pyrazole.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methyl]pyrazole?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methyl]pyrazole is Brc1cc(Cn2cccn2)cs1.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methyl]pyrazole?
The InChIKey is HGBHVEMRUMFDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S/c9-8-4-7(6-12-8)5-11-3-1-2-10-11/h1-4,6H,5H2.
What are the key properties of 1-[(5-bromothiophen-3-yl)methyl]pyrazole?
1-[(5-bromothiophen-3-yl)methyl]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 1-[(5-bromothiophen-3-yl)methyl]pyrazole is sourced from PubChem (CID 131201578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).