3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole

C15H18N4 — CID 135906373

IUPAC3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole
SMILESCCCn1nc(C)c2[nH]c(-c3cccc(C)c3)nc21
InChIInChI=1S/C15H18N4/c1-4-8-19-15-13(11(3)18-19)16-14(17-15)12-7-5-6-10(2)9-12/h5-7,9H,4,8H2,1-3H3,(H,16,17)
InChIKeyDTNCLHZWLCNKHJ-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.45
Rot. Bonds3

About 3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole

3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135906373) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole
PubChem CID135906373
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole
SMILESCCCn1nc(C)c2[nH]c(-c3cccc(C)c3)nc21
InChIInChI=1S/C15H18N4/c1-4-8-19-15-13(11(3)18-19)16-14(17-15)12-7-5-6-10(2)9-12/h5-7,9H,4,8H2,1-3H3,(H,16,17)
InChIKeyDTNCLHZWLCNKHJ-UHFFFAOYSA-N
XLogP3.45
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135457998
[4-(5-Butyl-3H-[1,2,4]triazolo[5,1-i]purin-8-yl)-phenyl]-dimethyl-amine
CID 135409793
5-Methyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135427226
5-Butyl-8-p-tolyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135440607
5-Pentyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135450786
5-butyl-8-(4-fluorophenyl)-1H-[1,2,4]triazolo[5,1-f]purine
CID 135443744
5,8-Diphenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135447756
5-Ethyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135475602
5-Butyl-8-m-tolyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135479920
5-Hexyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135512751
8-Phenyl-5-propyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135537639
8-Biphenyl-4-yl-5-butyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135525108

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole (CID 135906373) is 3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole is CCCn1nc(C)c2[nH]c(-c3cccc(C)c3)nc21.
What is the InChIKey of 3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is DTNCLHZWLCNKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-4-8-19-15-13(11(3)18-19)16-14(17-15)12-7-5-6-10(2)9-12/h5-7,9H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole?
3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 254.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135906373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).