4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole

C8H10Br2N2 — CID 62129927

IUPAC4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole
SMILESC=C(Br)Cn1nc(C)c(Br)c1C
InChIInChI=1S/C8H10Br2N2/c1-5(9)4-12-7(3)8(10)6(2)11-12/h1,4H2,2-3H3
InChIKeyAYYRDKORPCFIIF-UHFFFAOYSA-N
MW293.99 g/mol
LogP3.17
Rot. Bonds2

About 4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole

4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole (PubChem CID 62129927) has the molecular formula C8H10Br2N2 and a molecular weight of 293.99 g/mol. Its IUPAC name is 4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole
PubChem CID62129927
Molecular FormulaC8H10Br2N2
Molecular Weight293.99 g/mol
Exact Mass291.92
IUPAC Name4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole
SMILESC=C(Br)Cn1nc(C)c(Br)c1C
InChIInChI=1S/C8H10Br2N2/c1-5(9)4-12-7(3)8(10)6(2)11-12/h1,4H2,2-3H3
InChIKeyAYYRDKORPCFIIF-UHFFFAOYSA-N
XLogP3.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole?
The IUPAC name of 4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole (CID 62129927) is 4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole?
The canonical SMILES for 4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole is C=C(Br)Cn1nc(C)c(Br)c1C.
What is the InChIKey of 4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole?
The InChIKey is AYYRDKORPCFIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2N2/c1-5(9)4-12-7(3)8(10)6(2)11-12/h1,4H2,2-3H3.
What are the key properties of 4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole?
4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole has a molecular weight of 293.99 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-bromoprop-2-enyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 62129927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).