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

C14H15BrClN5 — CID 107614001

IUPAC6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H15BrClN5/c1-3-4-11-12-13(20(2)19-11)21(14(17)18-12)8-5-6-9(15)10(16)7-8/h5-7H,3-4H2,1-2H3,(H2,17,18)
InChIKeyHJSNFWGKPHNFOV-UHFFFAOYSA-N
MW368.67 g/mol
LogP3.71
Rot. Bonds3

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

6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 107614001) has the molecular formula C14H15BrClN5 and a molecular weight of 368.67 g/mol. Its IUPAC name is 6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
PubChem CID107614001
Molecular FormulaC14H15BrClN5
Molecular Weight368.67 g/mol
Exact Mass367.02
IUPAC Name6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H15BrClN5/c1-3-4-11-12-13(20(2)19-11)21(14(17)18-12)8-5-6-9(15)10(16)7-8/h5-7H,3-4H2,1-2H3,(H2,17,18)
InChIKeyHJSNFWGKPHNFOV-UHFFFAOYSA-N
XLogP3.71
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.67
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine (CID 107614001) is 6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine is CCCc1nn(C)c2c1nc(N)n2-c1ccc(Br)c(Cl)c1.
What is the InChIKey of 6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is HJSNFWGKPHNFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN5/c1-3-4-11-12-13(20(2)19-11)21(14(17)18-12)8-5-6-9(15)10(16)7-8/h5-7H,3-4H2,1-2H3,(H2,17,18).
What are the key properties of 6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 368.67 g/mol, XLogP of 3.71, 3 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)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 107614001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).