2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine

C12H14BrN3 — CID 82307239

IUPAC2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine
SMILESCc1cc(-n2cc(CCN)cn2)ccc1Br
InChIInChI=1S/C12H14BrN3/c1-9-6-11(2-3-12(9)13)16-8-10(4-5-14)7-15-16/h2-3,6-8H,4-5,14H2,1H3
InChIKeyJRLTWRCVQNFPFT-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.44
Rot. Bonds3

About 2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine

2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine (PubChem CID 82307239) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine
PubChem CID82307239
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine
SMILESCc1cc(-n2cc(CCN)cn2)ccc1Br
InChIInChI=1S/C12H14BrN3/c1-9-6-11(2-3-12(9)13)16-8-10(4-5-14)7-15-16/h2-3,6-8H,4-5,14H2,1H3
InChIKeyJRLTWRCVQNFPFT-UHFFFAOYSA-N
XLogP2.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]methyl]piperazine
CID 84610406
4-[4-(2-aminoethyl)pyrazol-1-yl]phenol
CID 83881516
2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine
CID 82285171
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
CID 82282392
1-(4-bromo-3-methylphenyl)pyrazole-4-carboxylic acid
CID 82489333
2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 63815889
2-[4-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 63816251
4-[1-(4-bromo-3-methylphenyl)triazol-4-yl]butan-1-amine
CID 113424666
2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82490017
[1-(4-bromo-3-methoxyphenyl)pyrazol-4-yl]methanol
CID 86710564
2-[1-(4-bromo-3-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 116818434

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine (CID 82307239) is 2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine is Cc1cc(-n2cc(CCN)cn2)ccc1Br.
What is the InChIKey of 2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine?
The InChIKey is JRLTWRCVQNFPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-9-6-11(2-3-12(9)13)16-8-10(4-5-14)7-15-16/h2-3,6-8H,4-5,14H2,1H3.
What are the key properties of 2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine?
2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82307239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).