6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine

C14H16BrN5 — CID 79297221

IUPAC6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2C(C)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN5/c1-8-12-13(19(3)18-8)20(14(16)17-12)9(2)10-4-6-11(15)7-5-10/h4-7,9H,1-3H3,(H2,16,17)
InChIKeyWNZQYCACGVZTAZ-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.03
Rot. Bonds2

About 6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine

6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79297221) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is 6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79297221
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC Name6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2C(C)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN5/c1-8-12-13(19(3)18-8)20(14(16)17-12)9(2)10-4-6-11(15)7-5-10/h4-7,9H,1-3H3,(H2,16,17)
InChIKeyWNZQYCACGVZTAZ-UHFFFAOYSA-N
XLogP3.03
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine 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

6-[1-(4-bromophenyl)ethyl]-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79284125
1,3-dimethyl-6-[1-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79296870
6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297006
1,3-dimethyl-6-(5-methylhexan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79296795
6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297644
1,3-dimethyl-6-(4-methylsulfanylbutan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 113477822
2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide
CID 79297000
ethyl 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propanoate
CID 79297636
1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine
CID 83144563
1,3-dimethyl-6-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79296785
2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-5-bromobenzonitrile
CID 82703597
3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79299984

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (CID 79297221) is 6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is Cc1nn(C)c2c1nc(N)n2C(C)c1ccc(Br)cc1.
What is the InChIKey of 6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is WNZQYCACGVZTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5/c1-8-12-13(19(3)18-8)20(14(16)17-12)9(2)10-4-6-11(15)7-5-10/h4-7,9H,1-3H3,(H2,16,17).
What are the key properties of 6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 334.22 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79297221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).