7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

C27H22N4O — CID 139222319

IUPAC7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccc(C2C=C(c3ccccc3)Nc3c(C#N)c(-c4ccc(C)cc4)nn32)cc1
InChIInChI=1S/C27H22N4O/c1-18-8-10-21(11-9-18)26-23(17-28)27-29-24(19-6-4-3-5-7-19)16-25(31(27)30-26)20-12-14-22(32-2)15-13-20/h3-16,25,29H,1-2H3
InChIKeyJIMGYPHYDCZJMY-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.79
Rot. Bonds4

About 7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 139222319) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID139222319
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC Name7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccc(C2C=C(c3ccccc3)Nc3c(C#N)c(-c4ccc(C)cc4)nn32)cc1
InChIInChI=1S/C27H22N4O/c1-18-8-10-21(11-9-18)26-23(17-28)27-29-24(19-6-4-3-5-7-19)16-25(31(27)30-26)20-12-14-22(32-2)15-13-20/h3-16,25,29H,1-2H3
InChIKeyJIMGYPHYDCZJMY-UHFFFAOYSA-N
XLogP5.79
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 139222319) is 7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile is COc1ccc(C2C=C(c3ccccc3)Nc3c(C#N)c(-c4ccc(C)cc4)nn32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is JIMGYPHYDCZJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O/c1-18-8-10-21(11-9-18)26-23(17-28)27-29-24(19-6-4-3-5-7-19)16-25(31(27)30-26)20-12-14-22(32-2)15-13-20/h3-16,25,29H,1-2H3.
What are the key properties of 7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 418.50 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 139222319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).