4-bromo-5-ethyl-1H-pyrazol-3-amine

C5H8BrN3 — CID 55254717

IUPAC4-bromo-5-ethyl-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1Br
InChIInChI=1S/C5H8BrN3/c1-2-3-4(6)5(7)9-8-3/h2H2,1H3,(H3,7,8,9)
InChIKeyKHUIFIOOCHXSNS-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.32
Rot. Bonds1

About 4-bromo-5-ethyl-1H-pyrazol-3-amine

4-bromo-5-ethyl-1H-pyrazol-3-amine (PubChem CID 55254717) has the molecular formula C5H8BrN3 and a molecular weight of 190.04 g/mol. Its IUPAC name is 4-bromo-5-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-ethyl-1H-pyrazol-3-amine
PubChem CID55254717
Molecular FormulaC5H8BrN3
Molecular Weight190.04 g/mol
Exact Mass188.99
IUPAC Name4-bromo-5-ethyl-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1Br
InChIInChI=1S/C5H8BrN3/c1-2-3-4(6)5(7)9-8-3/h2H2,1H3,(H3,7,8,9)
InChIKeyKHUIFIOOCHXSNS-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 4-bromo-5-ethyl-1H-pyrazol-3-amine (CID 55254717) is 4-bromo-5-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-bromo-5-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-bromo-5-ethyl-1H-pyrazol-3-amine is CCc1[nH]nc(N)c1Br.
What is the InChIKey of 4-bromo-5-ethyl-1H-pyrazol-3-amine?
The InChIKey is KHUIFIOOCHXSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3/c1-2-3-4(6)5(7)9-8-3/h2H2,1H3,(H3,7,8,9).
What are the key properties of 4-bromo-5-ethyl-1H-pyrazol-3-amine?
4-bromo-5-ethyl-1H-pyrazol-3-amine has a molecular weight of 190.04 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 55254717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).