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

C3H4BrN3 — CID 57242220

IUPAC5-bromo-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1Br
InChIInChI=1S/C3H4BrN3/c4-3-2(5)1-6-7-3/h1H,5H2,(H,6,7)
InChIKeyAEQPCNLUSNRCHM-UHFFFAOYSA-N
MW161.99 g/mol
LogP0.75
Rot. Bonds

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

5-bromo-1H-pyrazol-4-amine (PubChem CID 57242220) has the molecular formula C3H4BrN3 and a molecular weight of 161.99 g/mol. Its IUPAC name is 5-bromo-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-bromo-1H-pyrazol-4-amine
PubChem CID57242220
Molecular FormulaC3H4BrN3
Molecular Weight161.99 g/mol
Exact Mass160.96
IUPAC Name5-bromo-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1Br
InChIInChI=1S/C3H4BrN3/c4-3-2(5)1-6-7-3/h1H,5H2,(H,6,7)
InChIKeyAEQPCNLUSNRCHM-UHFFFAOYSA-N
XLogP0.75
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.99
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrazol-4-amine?
The IUPAC name of 5-bromo-1H-pyrazol-4-amine (CID 57242220) is 5-bromo-1H-pyrazol-4-amine.
What is the SMILES notation for 5-bromo-1H-pyrazol-4-amine?
The canonical SMILES for 5-bromo-1H-pyrazol-4-amine is Nc1cn[nH]c1Br.
What is the InChIKey of 5-bromo-1H-pyrazol-4-amine?
The InChIKey is AEQPCNLUSNRCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4BrN3/c4-3-2(5)1-6-7-3/h1H,5H2,(H,6,7).
What are the key properties of 5-bromo-1H-pyrazol-4-amine?
5-bromo-1H-pyrazol-4-amine has a molecular weight of 161.99 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-pyrazol-4-amine is sourced from PubChem (CID 57242220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).