4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile

C14H13BrN6 — CID 107791678

IUPAC4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile
SMILESCCc1nn(C)c2c1nc(N)n2-c1ccc(C#N)cc1Br
InChIInChI=1S/C14H13BrN6/c1-3-10-12-13(20(2)19-10)21(14(17)18-12)11-5-4-8(7-16)6-9(11)15/h4-6H,3H2,1-2H3,(H2,17,18)
InChIKeyUGBBAYZOBUSWSB-UHFFFAOYSA-N
MW345.20 g/mol
LogP2.54
Rot. Bonds2

About 4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile

4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile (PubChem CID 107791678) has the molecular formula C14H13BrN6 and a molecular weight of 345.20 g/mol. Its IUPAC name is 4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile.

Molecular Properties

Compound Name4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile
PubChem CID107791678
Molecular FormulaC14H13BrN6
Molecular Weight345.20 g/mol
Exact Mass344.04
IUPAC Name4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile
SMILESCCc1nn(C)c2c1nc(N)n2-c1ccc(C#N)cc1Br
InChIInChI=1S/C14H13BrN6/c1-3-10-12-13(20(2)19-10)21(14(17)18-12)11-5-4-8(7-16)6-9(11)15/h4-6H,3H2,1-2H3,(H2,17,18)
InChIKeyUGBBAYZOBUSWSB-UHFFFAOYSA-N
XLogP2.54
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 107637224
6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 107613979
6-[2-(dimethylamino)phenyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 106760271
2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile
CID 107791660
6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79279771
4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791691
4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791668
2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-5-bromobenzonitrile
CID 82703597
4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-3-bromobenzonitrile
CID 107787194
3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]benzonitrile
CID 79281006
3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79300054
3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79279586

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile?
The IUPAC name of 4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile (CID 107791678) is 4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile.
What is the SMILES notation for 4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile?
The canonical SMILES for 4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile is CCc1nn(C)c2c1nc(N)n2-c1ccc(C#N)cc1Br.
What is the InChIKey of 4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile?
The InChIKey is UGBBAYZOBUSWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN6/c1-3-10-12-13(20(2)19-10)21(14(17)18-12)11-5-4-8(7-16)6-9(11)15/h4-6H,3H2,1-2H3,(H2,17,18).
What are the key properties of 4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile?
4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile has a molecular weight of 345.20 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile is sourced from PubChem (CID 107791678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).