6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine

C15H18BrN5 — CID 107575931

IUPAC6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2-c1cc(C)cc(Br)c1
InChIInChI=1S/C15H18BrN5/c1-4-5-12-13-14(20(3)19-12)21(15(17)18-13)11-7-9(2)6-10(16)8-11/h6-8H,4-5H2,1-3H3,(H2,17,18)
InChIKeyRHFKQBBEDHPQDS-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.36
Rot. Bonds3

About 6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine

6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 107575931) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is 6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
PubChem CID107575931
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC Name6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2-c1cc(C)cc(Br)c1
InChIInChI=1S/C15H18BrN5/c1-4-5-12-13-14(20(3)19-12)21(15(17)18-13)11-7-9(2)6-10(16)8-11/h6-8H,4-5H2,1-3H3,(H2,17,18)
InChIKeyRHFKQBBEDHPQDS-UHFFFAOYSA-N
XLogP3.36
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.36
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
6-(3-methoxyphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79281273
6-(5-chloro-2-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79281094
6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 107613979
2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)benzonitrile
CID 79281106
6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79280309
6-(3,5-dimethylphenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305338
1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine
CID 107575930
3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79300054
3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide
CID 79305021
6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 107637224

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine (CID 107575931) is 6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine is CCCc1nn(C)c2c1nc(N)n2-c1cc(C)cc(Br)c1.
What is the InChIKey of 6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is RHFKQBBEDHPQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c1-4-5-12-13-14(20(3)19-12)21(15(17)18-13)11-7-9(2)6-10(16)8-11/h6-8H,4-5H2,1-3H3,(H2,17,18).
What are the key properties of 6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 348.25 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-5-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 107575931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).