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

C13H13BrClN5 — CID 107613979

IUPAC6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H13BrClN5/c1-3-10-11-12(19(2)18-10)20(13(16)17-11)7-4-5-8(14)9(15)6-7/h4-6H,3H2,1-2H3,(H2,16,17)
InChIKeyLCCWZABYYNXFSI-UHFFFAOYSA-N
MW354.64 g/mol
LogP3.32
Rot. Bonds2

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

6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 107613979) has the molecular formula C13H13BrClN5 and a molecular weight of 354.64 g/mol. Its IUPAC name is 6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID107613979
Molecular FormulaC13H13BrClN5
Molecular Weight354.64 g/mol
Exact Mass353.00
IUPAC Name6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H13BrClN5/c1-3-10-11-12(19(2)18-10)20(13(16)17-11)7-4-5-8(14)9(15)6-7/h4-6H,3H2,1-2H3,(H2,16,17)
InChIKeyLCCWZABYYNXFSI-UHFFFAOYSA-N
XLogP3.32
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 107614001
6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79280827
3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79279586
6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79280309
3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79300054
3-ethyl-1-methyl-6-(3-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79279585
6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 107637224
4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile
CID 107791678
6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79279771
6-[2-(dimethylamino)phenyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 106760271
6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 107575931
6-(3-methoxyphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79281273

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine (CID 107613979) is 6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2-c1ccc(Br)c(Cl)c1.
What is the InChIKey of 6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is LCCWZABYYNXFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN5/c1-3-10-11-12(19(2)18-10)20(13(16)17-11)7-4-5-8(14)9(15)6-7/h4-6H,3H2,1-2H3,(H2,16,17).
What are the key properties of 6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 354.64 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 107613979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).