3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine

C8H14BrN3 — CID 7019310

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCc1nn(CCCN)c(C)c1Br
InChIInChI=1S/C8H14BrN3/c1-6-8(9)7(2)12(11-6)5-3-4-10/h3-5,10H2,1-2H3
InChIKeyNJGOTAWBGADHOH-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.61
Rot. Bonds3

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine

3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine (PubChem CID 7019310) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine
PubChem CID7019310
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCc1nn(CCCN)c(C)c1Br
InChIInChI=1S/C8H14BrN3/c1-6-8(9)7(2)12(11-6)5-3-4-10/h3-5,10H2,1-2H3
InChIKeyNJGOTAWBGADHOH-UHFFFAOYSA-N
XLogP1.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine (CID 7019310) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine is Cc1nn(CCCN)c(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine?
The InChIKey is NJGOTAWBGADHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-6-8(9)7(2)12(11-6)5-3-4-10/h3-5,10H2,1-2H3.
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine has a molecular weight of 232.12 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 7019310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).