6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine

C12H11BrClN5 — CID 79297644

IUPAC6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2-c1cc(Br)ccc1Cl
InChIInChI=1S/C12H11BrClN5/c1-6-10-11(18(2)17-6)19(12(15)16-10)9-5-7(13)3-4-8(9)14/h3-5H,1-2H3,(H2,15,16)
InChIKeyGVGREIOSPCQVSF-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.07
Rot. Bonds1

About 6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine

6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79297644) has the molecular formula C12H11BrClN5 and a molecular weight of 340.61 g/mol. Its IUPAC name is 6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79297644
Molecular FormulaC12H11BrClN5
Molecular Weight340.61 g/mol
Exact Mass338.99
IUPAC Name6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2-c1cc(Br)ccc1Cl
InChIInChI=1S/C12H11BrClN5/c1-6-10-11(18(2)17-6)19(12(15)16-10)9-5-7(13)3-4-8(9)14/h3-5H,1-2H3,(H2,15,16)
InChIKeyGVGREIOSPCQVSF-UHFFFAOYSA-N
XLogP3.07
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-5-bromobenzonitrile
CID 82703597
6-(5-chloro-2-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297631
6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 107622319
6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 83079126
5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297324
6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297421
6-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297526
6-[1-(4-bromophenyl)ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297221
6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79274577
6-[3-(dimethylamino)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 115378694
6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297559
5-(2-chloroethyl)-6-(3,4-dichlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79273150

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (CID 79297644) is 6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is Cc1nn(C)c2c1nc(N)n2-c1cc(Br)ccc1Cl.
What is the InChIKey of 6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is GVGREIOSPCQVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN5/c1-6-10-11(18(2)17-6)19(12(15)16-10)9-5-7(13)3-4-8(9)14/h3-5H,1-2H3,(H2,15,16).
What are the key properties of 6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 340.61 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79297644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).