2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine

C12H14BrN3 — CID 82489297

IUPAC2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
SMILESCc1[nH]nc(-c2ccc(Br)cc2)c1CCN
InChIInChI=1S/C12H14BrN3/c1-8-11(6-7-14)12(16-15-8)9-2-4-10(13)5-3-9/h2-5H,6-7,14H2,1H3,(H,15,16)
InChIKeyQKXOFEFRQSZUTC-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.65
Rot. Bonds3

About 2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine

2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine (PubChem CID 82489297) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
PubChem CID82489297
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
SMILESCc1[nH]nc(-c2ccc(Br)cc2)c1CCN
InChIInChI=1S/C12H14BrN3/c1-8-11(6-7-14)12(16-15-8)9-2-4-10(13)5-3-9/h2-5H,6-7,14H2,1H3,(H,15,16)
InChIKeyQKXOFEFRQSZUTC-UHFFFAOYSA-N
XLogP2.65
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82478929
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82483994
2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine
CID 82478249
[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54851145
3-(4-bromophenyl)-5-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 125455921
[3-(4-ethylsulfanylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82480014
3-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 43650829
[5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine
CID 82478232
2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82486849
4-(4-bromophenyl)-5-methyl-2H-triazole
CID 131398344
5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 43651177
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine (CID 82489297) is 2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine is Cc1[nH]nc(-c2ccc(Br)cc2)c1CCN.
What is the InChIKey of 2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
The InChIKey is QKXOFEFRQSZUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-11(6-7-14)12(16-15-8)9-2-4-10(13)5-3-9/h2-5H,6-7,14H2,1H3,(H,15,16).
What are the key properties of 2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine?
2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82489297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).