1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine

C13H16BrN3 — CID 105424010

IUPAC1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine
SMILESCC(N)Cc1nn(C)cc1-c1ccccc1Br
InChIInChI=1S/C13H16BrN3/c1-9(15)7-13-11(8-17(2)16-13)10-5-3-4-6-12(10)14/h3-6,8-9H,7,15H2,1-2H3
InChIKeyUCQBASJTBGBUDG-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.74
Rot. Bonds3

About 1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine

1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine (PubChem CID 105424010) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine
PubChem CID105424010
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine
SMILESCC(N)Cc1nn(C)cc1-c1ccccc1Br
InChIInChI=1S/C13H16BrN3/c1-9(15)7-13-11(8-17(2)16-13)10-5-3-4-6-12(10)14/h3-6,8-9H,7,15H2,1-2H3
InChIKeyUCQBASJTBGBUDG-UHFFFAOYSA-N
XLogP2.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine
CID 83887921
3-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine
CID 105424049
1-[4-(2-bromophenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 105423941
1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine
CID 63084768
1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine
CID 66008084
N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66010129
1-(4-cyclobutyl-1-methylpyrazol-3-yl)propan-2-amine
CID 105422888
[4-(2-fluorophenyl)-1-methylpyrazol-3-yl]methanol
CID 105423075
1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine
CID 66009726
3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde
CID 43141306
1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 19585896

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine?
The IUPAC name of 1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine (CID 105424010) is 1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine is CC(N)Cc1nn(C)cc1-c1ccccc1Br.
What is the InChIKey of 1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine?
The InChIKey is UCQBASJTBGBUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9(15)7-13-11(8-17(2)16-13)10-5-3-4-6-12(10)14/h3-6,8-9H,7,15H2,1-2H3.
What are the key properties of 1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine?
1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine has a molecular weight of 294.20 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]propan-2-amine is sourced from PubChem (CID 105424010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).