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

C26H20N4 — CID 139222314

IUPAC2-(4-methylphenyl)-5,7-diphenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1ccc(C2NN3C(c4ccccc4)=CC(c4ccccc4)=NC3=C2C#N)cc1
InChIInChI=1S/C26H20N4/c1-18-12-14-21(15-13-18)25-22(17-27)26-28-23(19-8-4-2-5-9-19)16-24(30(26)29-25)20-10-6-3-7-11-20/h2-16,25,29H,1H3
InChIKeyQAZNKHADTMSNST-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.14
Rot. Bonds3

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

2-(4-methylphenyl)-5,7-diphenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 139222314) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5,7-diphenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methylphenyl)-5,7-diphenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID139222314
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Name2-(4-methylphenyl)-5,7-diphenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1ccc(C2NN3C(c4ccccc4)=CC(c4ccccc4)=NC3=C2C#N)cc1
InChIInChI=1S/C26H20N4/c1-18-12-14-21(15-13-18)25-22(17-27)26-28-23(19-8-4-2-5-9-19)16-24(30(26)29-25)20-10-6-3-7-11-20/h2-16,25,29H,1H3
InChIKeyQAZNKHADTMSNST-UHFFFAOYSA-N
XLogP5.14
TPSA51.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-methoxyphenyl)-2-(4-methylphenyl)-5-phenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 139222313
(5R)-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-1,5-dihydropyrazole-4-carbonitrile
CID 7447065
4-(4-methylphenyl)-3,6-diphenyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 135548155
7-(4-cyanophenyl)-5-methyl-3-phenyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile
CID 176509100
2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine
CID 170092907
(2Z)-2-cyano-2-[6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-ylidene]acetamide
CID 5407759
2,7,7-trimethyl-5-oxo-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 118731796
2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 139222324
2,3-bis(4-methylphenyl)-5-phenyl-2,4-dihydroimidazole
CID 101391310
7-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 139222328
12-(4-methylphenyl)-2,3,7,13-tetrazatetracyclo[12.4.0.02,6.07,11]octadeca-1(18),3,5,8,10,14,16-heptaene-5-carbonitrile
CID 10383308
2-(4-methylphenyl)-5-phenyl-1H-pyrrole-3-carbonitrile
CID 154709543

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5,7-diphenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-(4-methylphenyl)-5,7-diphenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 139222314) is 2-(4-methylphenyl)-5,7-diphenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-(4-methylphenyl)-5,7-diphenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-(4-methylphenyl)-5,7-diphenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1ccc(C2NN3C(c4ccccc4)=CC(c4ccccc4)=NC3=C2C#N)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5,7-diphenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is QAZNKHADTMSNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4/c1-18-12-14-21(15-13-18)25-22(17-27)26-28-23(19-8-4-2-5-9-19)16-24(30(26)29-25)20-10-6-3-7-11-20/h2-16,25,29H,1H3.
What are the key properties of 2-(4-methylphenyl)-5,7-diphenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-(4-methylphenyl)-5,7-diphenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 388.47 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5,7-diphenyl-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 139222314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).