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

C15H18ClN5 — CID 79280827

IUPAC6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2-c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H18ClN5/c1-4-5-12-13-14(20(3)19-12)21(15(17)18-13)10-7-6-9(2)11(16)8-10/h6-8H,4-5H2,1-3H3,(H2,17,18)
InChIKeyAOLQEMNFXCGMLK-UHFFFAOYSA-N
MW303.80 g/mol
LogP3.26
Rot. Bonds3

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

6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79280827) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79280827
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2-c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H18ClN5/c1-4-5-12-13-14(20(3)19-12)21(15(17)18-13)10-7-6-9(2)11(16)8-10/h6-8H,4-5H2,1-3H3,(H2,17,18)
InChIKeyAOLQEMNFXCGMLK-UHFFFAOYSA-N
XLogP3.26
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine (CID 79280827) is 6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine is CCCc1nn(C)c2c1nc(N)n2-c1ccc(C)c(Cl)c1.
What is the InChIKey of 6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is AOLQEMNFXCGMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-4-5-12-13-14(20(3)19-12)21(15(17)18-13)10-7-6-9(2)11(16)8-10/h6-8H,4-5H2,1-3H3,(H2,17,18).
What are the key properties of 6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 303.80 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79280827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).