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

C12H10Cl2FN5 — CID 83079126

IUPAC6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H10Cl2FN5/c1-5-9-11(19(2)18-5)20(12(16)17-9)10-7(13)3-6(15)4-8(10)14/h3-4H,1-2H3,(H2,16,17)
InChIKeyLGPUOUUZBBYGIK-UHFFFAOYSA-N
MW314.15 g/mol
LogP3.10
Rot. Bonds1

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

6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 83079126) has the molecular formula C12H10Cl2FN5 and a molecular weight of 314.15 g/mol. Its IUPAC name is 6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
PubChem CID83079126
Molecular FormulaC12H10Cl2FN5
Molecular Weight314.15 g/mol
Exact Mass313.03
IUPAC Name6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H10Cl2FN5/c1-5-9-11(19(2)18-5)20(12(16)17-9)10-7(13)3-6(15)4-8(10)14/h3-4H,1-2H3,(H2,16,17)
InChIKeyLGPUOUUZBBYGIK-UHFFFAOYSA-N
XLogP3.10
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-chloro-2-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297631
6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297421
6-(5-bromo-2-chlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297644
6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 107622319
5-(chloromethyl)-6-(3,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297663
6-(3-fluoro-4-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297559
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
5-(2-chloroethyl)-6-(2,6-dichlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79276573
2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-5-bromobenzonitrile
CID 82703597
6-(3-chloro-4-fluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305067
6-[3-(methoxymethyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79296857

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (CID 83079126) is 6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is Cc1nn(C)c2c1nc(N)n2-c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is LGPUOUUZBBYGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN5/c1-5-9-11(19(2)18-5)20(12(16)17-9)10-7(13)3-6(15)4-8(10)14/h3-4H,1-2H3,(H2,16,17).
What are the key properties of 6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 314.15 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-4-fluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 83079126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).