1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine

C12H14BrN3 — CID 105423937

IUPAC1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine
SMILESCC(N)c1nn(C)cc1-c1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3/c1-8(14)12-11(7-16(2)15-12)9-3-5-10(13)6-4-9/h3-8H,14H2,1-2H3
InChIKeyYWNWXWFCHPTJKN-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.87
Rot. Bonds2

About 1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine

1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine (PubChem CID 105423937) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine
PubChem CID105423937
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine
SMILESCC(N)c1nn(C)cc1-c1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3/c1-8(14)12-11(7-16(2)15-12)9-3-5-10(13)6-4-9/h3-8H,14H2,1-2H3
InChIKeyYWNWXWFCHPTJKN-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(bromomethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole
CID 165451622
(1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride
CID 130454077
1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone
CID 66010362
1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine
CID 66009726
1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine
CID 83222401
5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 154770177
N-[1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 66010565
3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83217202
4-[3-(4-chlorophenyl)phenyl]-1-methyl-3-propan-2-ylpyrazole
CID 166333754
3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol
CID 165460179
3-(4-bromophenyl)-1-methylpyrazole-4-carbonitrile
CID 39096288
1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine
CID 114703750

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine?
The IUPAC name of 1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine (CID 105423937) is 1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine.
What is the SMILES notation for 1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine?
The canonical SMILES for 1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine is CC(N)c1nn(C)cc1-c1ccc(Br)cc1.
What is the InChIKey of 1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine?
The InChIKey is YWNWXWFCHPTJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8(14)12-11(7-16(2)15-12)9-3-5-10(13)6-4-9/h3-8H,14H2,1-2H3.
What are the key properties of 1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine?
1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine is sourced from PubChem (CID 105423937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).