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

C3H5Br2N3 — CID 44890751

IUPAC4-bromo-1H-pyrazol-5-amine;hydrobromide
SMILESBr.Nc1[nH]ncc1Br
InChIInChI=1S/C3H4BrN3.BrH/c4-2-1-6-7-3(2)5;/h1H,(H3,5,6,7);1H
InChIKeyXUZSMHRCPZGCOX-UHFFFAOYSA-N
MW242.90 g/mol
LogP1.33
Rot. Bonds

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

4-bromo-1H-pyrazol-5-amine;hydrobromide (PubChem CID 44890751) has the molecular formula C3H5Br2N3 and a molecular weight of 242.90 g/mol. Its IUPAC name is 4-bromo-1H-pyrazol-5-amine;hydrobromide.

Molecular Properties

Compound Name4-bromo-1H-pyrazol-5-amine;hydrobromide
PubChem CID44890751
Molecular FormulaC3H5Br2N3
Molecular Weight242.90 g/mol
Exact Mass240.89
IUPAC Name4-bromo-1H-pyrazol-5-amine;hydrobromide
SMILESBr.Nc1[nH]ncc1Br
InChIInChI=1S/C3H4BrN3.BrH/c4-2-1-6-7-3(2)5;/h1H,(H3,5,6,7);1H
InChIKeyXUZSMHRCPZGCOX-UHFFFAOYSA-N
XLogP1.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.90
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-1H-pyrazol-5-amine;hydrobromide with MolForge

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

Launch Full Analysis

Related Compounds

3-Amino-4-bromopyrazole
CID 140079
4-Methyl-1H-pyrazol-3-amine
CID 12383043
4-iodo-1H-pyrazol-3-amine
CID 12831626
4-chloro-1H-pyrazol-3-amine
CID 13834974
4-fluoro-1H-pyrazol-5-amine
CID 89165396
4-chloro-1H-pyrazol-3-amine hydrochloride
CID 50999033
4-fluoro-1H-pyrazol-5-amine hydrochloride
CID 154879091
N'-(4-bromo-1H-pyrazol-5-yl)-N-hydroxymethanimidamide
CID 9964408
CID 22969544
CID 22969544
4-(bromomethyl)-1H-pyrazol-5-amine
CID 69571023
5-azido-4-bromo-1H-pyrazole
CID 86101523
4-(tribromomethyl)-1H-pyrazol-5-amine
CID 121362416

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyrazol-5-amine;hydrobromide?
The IUPAC name of 4-bromo-1H-pyrazol-5-amine;hydrobromide (CID 44890751) is 4-bromo-1H-pyrazol-5-amine;hydrobromide.
What is the SMILES notation for 4-bromo-1H-pyrazol-5-amine;hydrobromide?
The canonical SMILES for 4-bromo-1H-pyrazol-5-amine;hydrobromide is Br.Nc1[nH]ncc1Br.
What is the InChIKey of 4-bromo-1H-pyrazol-5-amine;hydrobromide?
The InChIKey is XUZSMHRCPZGCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4BrN3.BrH/c4-2-1-6-7-3(2)5;/h1H,(H3,5,6,7);1H.
What are the key properties of 4-bromo-1H-pyrazol-5-amine;hydrobromide?
4-bromo-1H-pyrazol-5-amine;hydrobromide has a molecular weight of 242.90 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1H-pyrazol-5-amine;hydrobromide is sourced from PubChem (CID 44890751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).