3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine

C25H23N5 — CID 102056688

IUPAC3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccc(NC2=Nc3c(c(C)nn3-c3ccccc3)CN2c2ccccc2)cc1
InChIInChI=1S/C25H23N5/c1-18-13-15-20(16-14-18)26-25-27-24-23(17-29(25)21-9-5-3-6-10-21)19(2)28-30(24)22-11-7-4-8-12-22/h3-16H,17H2,1-2H3,(H,26,27)
InChIKeyKLWWPCRAOFTVQF-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.61
Rot. Bonds3

About 3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine

3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 102056688) has the molecular formula C25H23N5 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID102056688
Molecular FormulaC25H23N5
Molecular Weight393.49 g/mol
Exact Mass393.20
IUPAC Name3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccc(NC2=Nc3c(c(C)nn3-c3ccccc3)CN2c2ccccc2)cc1
InChIInChI=1S/C25H23N5/c1-18-13-15-20(16-14-18)26-25-27-24-23(17-29(25)21-9-5-3-6-10-21)19(2)28-30(24)22-11-7-4-8-12-22/h3-16H,17H2,1-2H3,(H,26,27)
InChIKeyKLWWPCRAOFTVQF-UHFFFAOYSA-N
XLogP5.61
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine 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

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
N-(4-butylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 16030702
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
1H-Pyrazol-5-amine, 3-methyl-1-(4-methylphenyl)-
CID 112855
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
1,3-Bis(4-methylphenyl)-1H-pyrazol-5-amine
CID 800457
4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836
N-(4-benzylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263417
N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide
CID 2118092
N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 2323945

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 102056688) is 3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine is Cc1ccc(NC2=Nc3c(c(C)nn3-c3ccccc3)CN2c2ccccc2)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is KLWWPCRAOFTVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5/c1-18-13-15-20(16-14-18)26-25-27-24-23(17-29(25)21-9-5-3-6-10-21)19(2)28-30(24)22-11-7-4-8-12-22/h3-16H,17H2,1-2H3,(H,26,27).
What are the key properties of 3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine?
3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 393.49 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-1,5-diphenyl-4H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 102056688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).