2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine

C6H10BrN3 — CID 83819676

IUPAC2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine
SMILESCc1[nH]nc(Br)c1CCN
InChIInChI=1S/C6H10BrN3/c1-4-5(2-3-8)6(7)10-9-4/h2-3,8H2,1H3,(H,9,10)
InChIKeyCKOLCJBLXATQDJ-UHFFFAOYSA-N
MW204.07 g/mol
LogP0.98
Rot. Bonds2

About 2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine

2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine (PubChem CID 83819676) has the molecular formula C6H10BrN3 and a molecular weight of 204.07 g/mol. Its IUPAC name is 2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine
PubChem CID83819676
Molecular FormulaC6H10BrN3
Molecular Weight204.07 g/mol
Exact Mass203.01
IUPAC Name2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine
SMILESCc1[nH]nc(Br)c1CCN
InChIInChI=1S/C6H10BrN3/c1-4-5(2-3-8)6(7)10-9-4/h2-3,8H2,1H3,(H,9,10)
InChIKeyCKOLCJBLXATQDJ-UHFFFAOYSA-N
XLogP0.98
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine (CID 83819676) is 2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine is Cc1[nH]nc(Br)c1CCN.
What is the InChIKey of 2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine?
The InChIKey is CKOLCJBLXATQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3/c1-4-5(2-3-8)6(7)10-9-4/h2-3,8H2,1H3,(H,9,10).
What are the key properties of 2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine?
2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine has a molecular weight of 204.07 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methyl-1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 83819676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).