4-bromo-3-N,1-dimethylpyrazole-3,5-diamine

C5H9BrN4 — CID 83867118

IUPAC4-bromo-3-N,1-dimethylpyrazole-3,5-diamine
SMILESCNc1nn(C)c(N)c1Br
InChIInChI=1S/C5H9BrN4/c1-8-5-3(6)4(7)10(2)9-5/h7H2,1-2H3,(H,8,9)
InChIKeyAUUNUIVERVQZLF-UHFFFAOYSA-N
MW205.06 g/mol
LogP0.81
Rot. Bonds1

About 4-bromo-3-N,1-dimethylpyrazole-3,5-diamine

4-bromo-3-N,1-dimethylpyrazole-3,5-diamine (PubChem CID 83867118) has the molecular formula C5H9BrN4 and a molecular weight of 205.06 g/mol. Its IUPAC name is 4-bromo-3-N,1-dimethylpyrazole-3,5-diamine.

Molecular Properties

Compound Name4-bromo-3-N,1-dimethylpyrazole-3,5-diamine
PubChem CID83867118
Molecular FormulaC5H9BrN4
Molecular Weight205.06 g/mol
Exact Mass204.00
IUPAC Name4-bromo-3-N,1-dimethylpyrazole-3,5-diamine
SMILESCNc1nn(C)c(N)c1Br
InChIInChI=1S/C5H9BrN4/c1-8-5-3(6)4(7)10(2)9-5/h7H2,1-2H3,(H,8,9)
InChIKeyAUUNUIVERVQZLF-UHFFFAOYSA-N
XLogP0.81
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.06
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-3-N,1-dimethylpyrazole-3,5-diamine 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

4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine
CID 83910403
4-bromo-N,1-dimethylindazol-3-amine
CID 84701824
4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine
CID 84611020
3-bromo-5-chloro-1-methylpyrazol-4-amine
CID 84677979
4-bromo-1-methyl-3-(4-propan-2-ylsulfanylphenyl)pyrazol-5-amine
CID 84607109
6-amino-4,5-dibromo-2-methylpyridazin-3-one
CID 170978635
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine
CID 55045198
2-methyl-5-(2-methylhydrazinyl)-1,2,4-triazol-3-amine
CID 146569209
1-methyl-3-methylsulfinylpyrazole-4,5-diamine
CID 66897291
5-amino-N,1,4-trimethylpyrazole-3-carboxamide
CID 22977829
4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine
CID 84605999
5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile
CID 102795727

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-N,1-dimethylpyrazole-3,5-diamine?
The IUPAC name of 4-bromo-3-N,1-dimethylpyrazole-3,5-diamine (CID 83867118) is 4-bromo-3-N,1-dimethylpyrazole-3,5-diamine.
What is the SMILES notation for 4-bromo-3-N,1-dimethylpyrazole-3,5-diamine?
The canonical SMILES for 4-bromo-3-N,1-dimethylpyrazole-3,5-diamine is CNc1nn(C)c(N)c1Br.
What is the InChIKey of 4-bromo-3-N,1-dimethylpyrazole-3,5-diamine?
The InChIKey is AUUNUIVERVQZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrN4/c1-8-5-3(6)4(7)10(2)9-5/h7H2,1-2H3,(H,8,9).
What are the key properties of 4-bromo-3-N,1-dimethylpyrazole-3,5-diamine?
4-bromo-3-N,1-dimethylpyrazole-3,5-diamine has a molecular weight of 205.06 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-N,1-dimethylpyrazole-3,5-diamine is sourced from PubChem (CID 83867118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).