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

C17H18N6 — CID 135900893

IUPAC3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole
SMILESCc1cccc(Cn2nc(C)c3[nH]c(-c4cncn4C)nc32)c1
InChIInChI=1S/C17H18N6/c1-11-5-4-6-13(7-11)9-23-17-15(12(2)21-23)19-16(20-17)14-8-18-10-22(14)3/h4-8,10H,9H2,1-3H3,(H,19,20)
InChIKeyQSDOZJKVSRJOCW-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.83
Rot. Bonds3

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

3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole (PubChem CID 135900893) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole
PubChem CID135900893
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole
SMILESCc1cccc(Cn2nc(C)c3[nH]c(-c4cncn4C)nc32)c1
InChIInChI=1S/C17H18N6/c1-11-5-4-6-13(7-11)9-23-17-15(12(2)21-23)19-16(20-17)14-8-18-10-22(14)3/h4-8,10H,9H2,1-3H3,(H,19,20)
InChIKeyQSDOZJKVSRJOCW-UHFFFAOYSA-N
XLogP2.83
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chlorophenyl)methyl]-5-(3-methylimidazol-4-yl)-4H-imidazo[4,5-d]pyrazole
CID 135876501
3-methyl-5-(3-methylphenyl)-1-propyl-4H-imidazo[4,5-d]pyrazole
CID 135906373
6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 103511214
5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 103511219
8-methyl-2-[(3-methylphenyl)methyl]-[1,2,4]triazino[4,5-a]indol-1-one
CID 20893858
1-[(3-methylphenyl)methyl]-5-phenyltriazole
CID 14612081
3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine
CID 63275168
[1-(3-methylimidazol-4-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105264611
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 3461294
2-[(3-methylphenyl)methyl]-5-propyl-1,2,4-triazol-3-amine
CID 63274880
N-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine
CID 115029281
1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-phenylthiourea
CID 19344248

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole (CID 135900893) is 3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole is Cc1cccc(Cn2nc(C)c3[nH]c(-c4cncn4C)nc32)c1.
What is the InChIKey of 3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole?
The InChIKey is QSDOZJKVSRJOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-11-5-4-6-13(7-11)9-23-17-15(12(2)21-23)19-16(20-17)14-8-18-10-22(14)3/h4-8,10H,9H2,1-3H3,(H,19,20).
What are the key properties of 3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole?
3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole has a molecular weight of 306.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylimidazol-4-yl)-1-[(3-methylphenyl)methyl]-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135900893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).