6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine

C14H16BrN5 — CID 107637224

IUPAC6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2-c1cccc(Br)c1C
InChIInChI=1S/C14H16BrN5/c1-4-10-12-13(19(3)18-10)20(14(16)17-12)11-7-5-6-9(15)8(11)2/h5-7H,4H2,1-3H3,(H2,16,17)
InChIKeyCVMJROJTPNKZSJ-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.97
Rot. Bonds2

About 6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine

6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 107637224) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is 6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID107637224
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC Name6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2-c1cccc(Br)c1C
InChIInChI=1S/C14H16BrN5/c1-4-10-12-13(19(3)18-10)20(14(16)17-12)11-7-5-6-9(15)8(11)2/h5-7H,4H2,1-3H3,(H2,16,17)
InChIKeyCVMJROJTPNKZSJ-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(dimethylamino)phenyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 106760271
4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile
CID 107791678
6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 107613979
3-ethyl-1-methyl-6-(3-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79279585
3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79300054
6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79279771
3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79279586
2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile
CID 79281106
1-(3-bromo-2-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107637238
6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79280309
6-(5-chloro-2-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79281094
6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 107614001

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine (CID 107637224) is 6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2-c1cccc(Br)c1C.
What is the InChIKey of 6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is CVMJROJTPNKZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5/c1-4-10-12-13(19(3)18-10)20(14(16)17-12)11-7-5-6-9(15)8(11)2/h5-7H,4H2,1-3H3,(H2,16,17).
What are the key properties of 6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 334.22 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 107637224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).