4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine

C9H10BrN5 — CID 165472410

IUPAC4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine
SMILESNc1nn(CCc2cnccn2)cc1Br
InChIInChI=1S/C9H10BrN5/c10-8-6-15(14-9(8)11)4-1-7-5-12-2-3-13-7/h2-3,5-6H,1,4H2,(H2,11,14)
InChIKeyAGSZPXBYPFLAMQ-UHFFFAOYSA-N
MW268.12 g/mol
LogP1.26
Rot. Bonds3

About 4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine

4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine (PubChem CID 165472410) has the molecular formula C9H10BrN5 and a molecular weight of 268.12 g/mol. Its IUPAC name is 4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine
PubChem CID165472410
Molecular FormulaC9H10BrN5
Molecular Weight268.12 g/mol
Exact Mass267.01
IUPAC Name4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine
SMILESNc1nn(CCc2cnccn2)cc1Br
InChIInChI=1S/C9H10BrN5/c10-8-6-15(14-9(8)11)4-1-7-5-12-2-3-13-7/h2-3,5-6H,1,4H2,(H2,11,14)
InChIKeyAGSZPXBYPFLAMQ-UHFFFAOYSA-N
XLogP1.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine
CID 61177361
[3-(4-Bromopyrazol-1-yl)pyrazin-2-yl]methanamine
CID 62673917
3-(4-Bromopyrazol-1-yl)pyrazine-2-carboximidamide
CID 62684045
2-(1-Pyrazin-2-ylethyl)pyrazol-3-amine
CID 64189259
4-Methyl-1-(1-pyrazin-2-ylethyl)pyrazol-5-amine
CID 64189260
5-Methyl-2-(1-pyrazin-2-ylethyl)pyrazol-3-amine
CID 64189261
4-Chloro-1-(1-pyrazin-2-ylethyl)pyrazol-5-amine
CID 64189262
4-Bromo-1-(1-pyrazin-2-ylethyl)pyrazol-5-amine
CID 64189468
4-Iodo-1-(1-pyrazin-2-ylethyl)pyrazol-5-amine
CID 64189469
4-Bromo-3-methyl-1-(1-pyrazin-2-ylethyl)pyrazol-5-amine
CID 64189471
4-Iodo-3-methyl-1-(1-pyrazin-2-ylethyl)pyrazol-5-amine
CID 64189677
1-methyl-N-(1-pyrazin-2-ylethyl)pyrazol-3-amine
CID 64190281

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine (CID 165472410) is 4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine is Nc1nn(CCc2cnccn2)cc1Br.
What is the InChIKey of 4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine?
The InChIKey is AGSZPXBYPFLAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5/c10-8-6-15(14-9(8)11)4-1-7-5-12-2-3-13-7/h2-3,5-6H,1,4H2,(H2,11,14).
What are the key properties of 4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine?
4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine has a molecular weight of 268.12 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-pyrazin-2-ylethyl)pyrazol-3-amine is sourced from PubChem (CID 165472410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).