2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine

C7H12BrN3 — CID 84785906

IUPAC2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine
SMILESCC(CN)c1cnn(C)c1Br
InChIInChI=1S/C7H12BrN3/c1-5(3-9)6-4-10-11(2)7(6)8/h4-5H,3,9H2,1-2H3
InChIKeyUCTLQKNNXZTJSU-UHFFFAOYSA-N
MW218.10 g/mol
LogP1.24
Rot. Bonds2

About 2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine

2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 84785906) has the molecular formula C7H12BrN3 and a molecular weight of 218.10 g/mol. Its IUPAC name is 2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine
PubChem CID84785906
Molecular FormulaC7H12BrN3
Molecular Weight218.10 g/mol
Exact Mass217.02
IUPAC Name2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine
SMILESCC(CN)c1cnn(C)c1Br
InChIInChI=1S/C7H12BrN3/c1-5(3-9)6-4-10-11(2)7(6)8/h4-5H,3,9H2,1-2H3
InChIKeyUCTLQKNNXZTJSU-UHFFFAOYSA-N
XLogP1.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-methyl-4-propan-2-ylpyrazole
CID 84671203
3-(5-bromo-1-methylpyrazol-4-yl)butanoic acid
CID 84803278
1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol
CID 131107730
2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid
CID 84796689
2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
CID 83827347
4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid
CID 84806943
2-(5-bromopyrazolo[1,5-a]pyridin-3-yl)propan-1-amine
CID 83900924
2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine
CID 84776613
2-(3-methyltriazol-4-yl)propan-1-amine
CID 114691377
3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine
CID 83895039
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
5-bromo-4-(chloromethyl)-1-methylpyrazole
CID 130718364

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine (CID 84785906) is 2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine is CC(CN)c1cnn(C)c1Br.
What is the InChIKey of 2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is UCTLQKNNXZTJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3/c1-5(3-9)6-4-10-11(2)7(6)8/h4-5H,3,9H2,1-2H3.
What are the key properties of 2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine?
2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 218.10 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 84785906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).