4-bromo-1-methylpyrazol-5-amine;hydrobromide

C4H7Br2N3 — CID 122156616

IUPAC4-bromo-1-methylpyrazol-5-amine;hydrobromide
SMILESBr.Cn1ncc(Br)c1N
InChIInChI=1S/C4H6BrN3.BrH/c1-8-4(6)3(5)2-7-8;/h2H,6H2,1H3;1H
InChIKeyISEGYFOPPVYPBX-UHFFFAOYSA-N
MW256.93 g/mol
LogP1.34
Rot. Bonds

About 4-bromo-1-methylpyrazol-5-amine;hydrobromide

4-bromo-1-methylpyrazol-5-amine;hydrobromide (PubChem CID 122156616) has the molecular formula C4H7Br2N3 and a molecular weight of 256.93 g/mol. Its IUPAC name is 4-bromo-1-methylpyrazol-5-amine;hydrobromide.

Molecular Properties

Compound Name4-bromo-1-methylpyrazol-5-amine;hydrobromide
PubChem CID122156616
Molecular FormulaC4H7Br2N3
Molecular Weight256.93 g/mol
Exact Mass254.90
IUPAC Name4-bromo-1-methylpyrazol-5-amine;hydrobromide
SMILESBr.Cn1ncc(Br)c1N
InChIInChI=1S/C4H6BrN3.BrH/c1-8-4(6)3(5)2-7-8;/h2H,6H2,1H3;1H
InChIKeyISEGYFOPPVYPBX-UHFFFAOYSA-N
XLogP1.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.93
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylpyrazol-5-amine;hydrobromide?
The IUPAC name of 4-bromo-1-methylpyrazol-5-amine;hydrobromide (CID 122156616) is 4-bromo-1-methylpyrazol-5-amine;hydrobromide.
What is the SMILES notation for 4-bromo-1-methylpyrazol-5-amine;hydrobromide?
The canonical SMILES for 4-bromo-1-methylpyrazol-5-amine;hydrobromide is Br.Cn1ncc(Br)c1N.
What is the InChIKey of 4-bromo-1-methylpyrazol-5-amine;hydrobromide?
The InChIKey is ISEGYFOPPVYPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN3.BrH/c1-8-4(6)3(5)2-7-8;/h2H,6H2,1H3;1H.
What are the key properties of 4-bromo-1-methylpyrazol-5-amine;hydrobromide?
4-bromo-1-methylpyrazol-5-amine;hydrobromide has a molecular weight of 256.93 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methylpyrazol-5-amine;hydrobromide is sourced from PubChem (CID 122156616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).