4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide

C4H7Br2N3 — CID 135504741

IUPAC4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide
SMILESCc1[nH][nH+]c(N)c1Br.[Br-]
InChIInChI=1S/C4H6BrN3.BrH/c1-2-3(5)4(6)8-7-2;/h1H3,(H3,6,7,8);1H
InChIKeyUGCOULAJNKWOPX-UHFFFAOYSA-N
MW256.93 g/mol
LogP-2.51
Rot. Bonds

About 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide

4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide (PubChem CID 135504741) has the molecular formula C4H7Br2N3 and a molecular weight of 256.93 g/mol. Its IUPAC name is 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide.

Molecular Properties

Compound Name4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide
PubChem CID135504741
Molecular FormulaC4H7Br2N3
Molecular Weight256.93 g/mol
Exact Mass254.90
IUPAC Name4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide
SMILESCc1[nH][nH+]c(N)c1Br.[Br-]
InChIInChI=1S/C4H6BrN3.BrH/c1-2-3(5)4(6)8-7-2;/h1H3,(H3,6,7,8);1H
InChIKeyUGCOULAJNKWOPX-UHFFFAOYSA-N
XLogP-2.51
TPSA55.95 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.93
LogP ≤ 5-2.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide?
The IUPAC name of 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide (CID 135504741) is 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide.
What is the SMILES notation for 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide?
The canonical SMILES for 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide is Cc1[nH][nH+]c(N)c1Br.[Br-].
What is the InChIKey of 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide?
The InChIKey is UGCOULAJNKWOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN3.BrH/c1-2-3(5)4(6)8-7-2;/h1H3,(H3,6,7,8);1H.
What are the key properties of 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide?
4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide has a molecular weight of 256.93 g/mol, XLogP of -2.51, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-1H-pyrazol-2-ium-3-amine bromide is sourced from PubChem (CID 135504741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).