1-(3-bromo-1H-pyrazol-5-yl)ethanamine

C5H8BrN3 — CID 84719458

IUPAC1-(3-bromo-1H-pyrazol-5-yl)ethanamine
SMILESCC(N)c1cc(Br)n[nH]1
InChIInChI=1S/C5H8BrN3/c1-3(7)4-2-5(6)9-8-4/h2-3H,7H2,1H3,(H,8,9)
InChIKeyGNCWJOLYHXRTMQ-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.19
Rot. Bonds1

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

1-(3-bromo-1H-pyrazol-5-yl)ethanamine (PubChem CID 84719458) has the molecular formula C5H8BrN3 and a molecular weight of 190.04 g/mol. Its IUPAC name is 1-(3-bromo-1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-1H-pyrazol-5-yl)ethanamine
PubChem CID84719458
Molecular FormulaC5H8BrN3
Molecular Weight190.04 g/mol
Exact Mass188.99
IUPAC Name1-(3-bromo-1H-pyrazol-5-yl)ethanamine
SMILESCC(N)c1cc(Br)n[nH]1
InChIInChI=1S/C5H8BrN3/c1-3(7)4-2-5(6)9-8-4/h2-3H,7H2,1H3,(H,8,9)
InChIKeyGNCWJOLYHXRTMQ-UHFFFAOYSA-N
XLogP1.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1H-pyrazol-5-yl)ethanamine?
The IUPAC name of 1-(3-bromo-1H-pyrazol-5-yl)ethanamine (CID 84719458) is 1-(3-bromo-1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-1H-pyrazol-5-yl)ethanamine is CC(N)c1cc(Br)n[nH]1.
What is the InChIKey of 1-(3-bromo-1H-pyrazol-5-yl)ethanamine?
The InChIKey is GNCWJOLYHXRTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3/c1-3(7)4-2-5(6)9-8-4/h2-3H,7H2,1H3,(H,8,9).
What are the key properties of 1-(3-bromo-1H-pyrazol-5-yl)ethanamine?
1-(3-bromo-1H-pyrazol-5-yl)ethanamine has a molecular weight of 190.04 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 84719458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).