4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole

C10H11BrN2S — CID 62129771

IUPAC4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole
SMILESCc1nn(Cc2cccs2)c(C)c1Br
InChIInChI=1S/C10H11BrN2S/c1-7-10(11)8(2)13(12-7)6-9-4-3-5-14-9/h3-5H,6H2,1-2H3
InChIKeyLVRUROKRFDXFTE-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.37
Rot. Bonds2

About 4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole

4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole (PubChem CID 62129771) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole
PubChem CID62129771
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC Name4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole
SMILESCc1nn(Cc2cccs2)c(C)c1Br
InChIInChI=1S/C10H11BrN2S/c1-7-10(11)8(2)13(12-7)6-9-4-3-5-14-9/h3-5H,6H2,1-2H3
InChIKeyLVRUROKRFDXFTE-UHFFFAOYSA-N
XLogP3.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole?
The IUPAC name of 4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole (CID 62129771) is 4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole.
What is the SMILES notation for 4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole?
The canonical SMILES for 4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole is Cc1nn(Cc2cccs2)c(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole?
The InChIKey is LVRUROKRFDXFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c1-7-10(11)8(2)13(12-7)6-9-4-3-5-14-9/h3-5H,6H2,1-2H3.
What are the key properties of 4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole?
4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole has a molecular weight of 271.18 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole is sourced from PubChem (CID 62129771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).