2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine

C12H14BrN3 — CID 115051589

IUPAC2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine
SMILESNCCc1cnn(Cc2ccccc2)c1Br
InChIInChI=1S/C12H14BrN3/c13-12-11(6-7-14)8-15-16(12)9-10-4-2-1-3-5-10/h1-5,8H,6-7,9,14H2
InChIKeyKBBZMCJAZGAQES-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.20
Rot. Bonds4

About 2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine

2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine (PubChem CID 115051589) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine
PubChem CID115051589
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine
SMILESNCCc1cnn(Cc2ccccc2)c1Br
InChIInChI=1S/C12H14BrN3/c13-12-11(6-7-14)8-15-16(12)9-10-4-2-1-3-5-10/h1-5,8H,6-7,9,14H2
InChIKeyKBBZMCJAZGAQES-UHFFFAOYSA-N
XLogP2.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride
CID 90489043
3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115069221
2-[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 115068545
5-amino-2-benzyl-4-bromopyridazin-3-one
CID 125494178
1-benzyl-4-bromo-5-methylpyrazole
CID 15129851
3-(3-benzyltriazol-4-yl)propan-1-amine
CID 84681932
4-amino-2-benzyl-5-bromopyridazin-3-one
CID 84819961
3-[1-[(4-bromophenyl)methyl]-5-methylpyrazol-4-yl]propan-1-amine
CID 63276856
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806
2-[3-[(4-bromophenyl)methyl]triazol-4-yl]ethanamine
CID 82203608
3-[1-[(2-bromophenyl)methyl]-5-methylpyrazol-4-yl]propan-1-amine
CID 63276495
4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
CID 115069683

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine (CID 115051589) is 2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine is NCCc1cnn(Cc2ccccc2)c1Br.
What is the InChIKey of 2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine?
The InChIKey is KBBZMCJAZGAQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-12-11(6-7-14)8-15-16(12)9-10-4-2-1-3-5-10/h1-5,8H,6-7,9,14H2.
What are the key properties of 2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine?
2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine is sourced from PubChem (CID 115051589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).