2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine

C11H12BrN3 — CID 56604539

IUPAC2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C11H12BrN3/c1-8-6-11(13)15(14-8)7-9-2-4-10(12)5-3-9/h2-6H,7,13H2,1H3
InChIKeyFEUOXZRVVOCZMV-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.58
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine

2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine (PubChem CID 56604539) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine
PubChem CID56604539
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C11H12BrN3/c1-8-6-11(13)15(14-8)7-9-2-4-10(12)5-3-9/h2-6H,7,13H2,1H3
InChIKeyFEUOXZRVVOCZMV-UHFFFAOYSA-N
XLogP2.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine (CID 56604539) is 2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine is Cc1cc(N)n(Cc2ccc(Br)cc2)n1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is FEUOXZRVVOCZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8-6-11(13)15(14-8)7-9-2-4-10(12)5-3-9/h2-6H,7,13H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine?
2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 266.14 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 56604539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).