1-(4-bromophenyl)-5-ethyl-4-methylpyrazole

C12H13BrN2 — CID 166934661

IUPAC1-(4-bromophenyl)-5-ethyl-4-methylpyrazole
SMILESCCc1c(C)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2/c1-3-12-9(2)8-14-15(12)11-6-4-10(13)5-7-11/h4-8H,3H2,1-2H3
InChIKeyXMDHIWAOASDLJG-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.51
Rot. Bonds2

About 1-(4-bromophenyl)-5-ethyl-4-methylpyrazole

1-(4-bromophenyl)-5-ethyl-4-methylpyrazole (PubChem CID 166934661) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-ethyl-4-methylpyrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-ethyl-4-methylpyrazole
PubChem CID166934661
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name1-(4-bromophenyl)-5-ethyl-4-methylpyrazole
SMILESCCc1c(C)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2/c1-3-12-9(2)8-14-15(12)11-6-4-10(13)5-7-11/h4-8H,3H2,1-2H3
InChIKeyXMDHIWAOASDLJG-UHFFFAOYSA-N
XLogP3.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-ethyl-4-methylpyrazole?
The IUPAC name of 1-(4-bromophenyl)-5-ethyl-4-methylpyrazole (CID 166934661) is 1-(4-bromophenyl)-5-ethyl-4-methylpyrazole.
What is the SMILES notation for 1-(4-bromophenyl)-5-ethyl-4-methylpyrazole?
The canonical SMILES for 1-(4-bromophenyl)-5-ethyl-4-methylpyrazole is CCc1c(C)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-ethyl-4-methylpyrazole?
The InChIKey is XMDHIWAOASDLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c1-3-12-9(2)8-14-15(12)11-6-4-10(13)5-7-11/h4-8H,3H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-5-ethyl-4-methylpyrazole?
1-(4-bromophenyl)-5-ethyl-4-methylpyrazole has a molecular weight of 265.15 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-ethyl-4-methylpyrazole is sourced from PubChem (CID 166934661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).