4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine

C12H13Br2N3 — CID 2356923

IUPAC4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine
SMILESCCn1nc(C)c(Br)c1Nc1ccc(Br)cc1
InChIInChI=1S/C12H13Br2N3/c1-3-17-12(11(14)8(2)16-17)15-10-6-4-9(13)5-7-10/h4-7,15H,3H2,1-2H3
InChIKeyJJIJDJSOZRLHRP-UHFFFAOYSA-N
MW359.07 g/mol
LogP4.48
Rot. Bonds3

About 4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine

4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine (PubChem CID 2356923) has the molecular formula C12H13Br2N3 and a molecular weight of 359.07 g/mol. Its IUPAC name is 4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine
PubChem CID2356923
Molecular FormulaC12H13Br2N3
Molecular Weight359.07 g/mol
Exact Mass356.95
IUPAC Name4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine
SMILESCCn1nc(C)c(Br)c1Nc1ccc(Br)cc1
InChIInChI=1S/C12H13Br2N3/c1-3-17-12(11(14)8(2)16-17)15-10-6-4-9(13)5-7-10/h4-7,15H,3H2,1-2H3
InChIKeyJJIJDJSOZRLHRP-UHFFFAOYSA-N
XLogP4.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.07
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine (CID 2356923) is 4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine is CCn1nc(C)c(Br)c1Nc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine?
The InChIKey is JJIJDJSOZRLHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3/c1-3-17-12(11(14)8(2)16-17)15-10-6-4-9(13)5-7-10/h4-7,15H,3H2,1-2H3.
What are the key properties of 4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine?
4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine has a molecular weight of 359.07 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine is sourced from PubChem (CID 2356923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).