3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine

C11H12BrN3 — CID 43158772

IUPAC3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine
SMILESCc1c(-c2ccc(Br)cc2)nn(C)c1N
InChIInChI=1S/C11H12BrN3/c1-7-10(14-15(2)11(7)13)8-3-5-9(12)6-4-8/h3-6H,13H2,1-2H3
InChIKeyAXPBGFZXBZDRHS-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.74
Rot. Bonds1

About 3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine

3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine (PubChem CID 43158772) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine
PubChem CID43158772
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine
SMILESCc1c(-c2ccc(Br)cc2)nn(C)c1N
InChIInChI=1S/C11H12BrN3/c1-7-10(14-15(2)11(7)13)8-3-5-9(12)6-4-8/h3-6H,13H2,1-2H3
InChIKeyAXPBGFZXBZDRHS-UHFFFAOYSA-N
XLogP2.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine?
The IUPAC name of 3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine (CID 43158772) is 3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine?
The canonical SMILES for 3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine is Cc1c(-c2ccc(Br)cc2)nn(C)c1N.
What is the InChIKey of 3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine?
The InChIKey is AXPBGFZXBZDRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-7-10(14-15(2)11(7)13)8-3-5-9(12)6-4-8/h3-6H,13H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine?
3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine has a molecular weight of 266.14 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1,4-dimethylpyrazol-5-amine is sourced from PubChem (CID 43158772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).