3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine

C12H13Br2N3 — CID 114373221

IUPAC3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine
SMILESCCc1c(-c2cc(Br)ccc2Br)nn(C)c1N
InChIInChI=1S/C12H13Br2N3/c1-3-8-11(16-17(2)12(8)15)9-6-7(13)4-5-10(9)14/h4-6H,3,15H2,1-2H3
InChIKeyMYIVQSLRUBMNLB-UHFFFAOYSA-N
MW359.07 g/mol
LogP3.76
Rot. Bonds2

About 3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine

3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine (PubChem CID 114373221) has the molecular formula C12H13Br2N3 and a molecular weight of 359.07 g/mol. Its IUPAC name is 3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine
PubChem CID114373221
Molecular FormulaC12H13Br2N3
Molecular Weight359.07 g/mol
Exact Mass356.95
IUPAC Name3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine
SMILESCCc1c(-c2cc(Br)ccc2Br)nn(C)c1N
InChIInChI=1S/C12H13Br2N3/c1-3-8-11(16-17(2)12(8)15)9-6-7(13)4-5-10(9)14/h4-6H,3,15H2,1-2H3
InChIKeyMYIVQSLRUBMNLB-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.07
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670812
3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 114373232
3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 53418218
3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405825
3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 81110742
3-(2,3-dimethylphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670733
3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine
CID 79990711
3-(2,4-dimethoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670816
3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 115369365
3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670796
4-ethyl-1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
CID 80745978
3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1-methylpyrazol-5-amine
CID 63744866

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine (CID 114373221) is 3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine is CCc1c(-c2cc(Br)ccc2Br)nn(C)c1N.
What is the InChIKey of 3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine?
The InChIKey is MYIVQSLRUBMNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3/c1-3-8-11(16-17(2)12(8)15)9-6-7(13)4-5-10(9)14/h4-6H,3,15H2,1-2H3.
What are the key properties of 3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine?
3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine has a molecular weight of 359.07 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine is sourced from PubChem (CID 114373221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).