2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

C26H20N4 — CID 139222324

IUPAC2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1ccc(-c2nn3c(c2C#N)N=C(c2ccccc2)CC3c2ccccc2)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/h2-15,24H,16H2,1H3
InChIKeyJCOASNHKSGURQQ-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.84
Rot. Bonds3

About 2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 139222324) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID139222324
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Name2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1ccc(-c2nn3c(c2C#N)N=C(c2ccccc2)CC3c2ccccc2)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/h2-15,24H,16H2,1H3
InChIKeyJCOASNHKSGURQQ-UHFFFAOYSA-N
XLogP5.84
TPSA53.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 139222328
(7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 40696761
5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 17121149
N-[7-(4-methylphenyl)-5-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
CID 75636217
(7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 41352592
2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 141404090
(5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine
CID 7392449
6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
CID 12575122
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 3756212
(7R)-5-(furan-2-yl)-3-(4-methoxyphenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 7708607
(7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 26182684
1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole
CID 118734047

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 139222324) is 2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1ccc(-c2nn3c(c2C#N)N=C(c2ccccc2)CC3c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is JCOASNHKSGURQQ-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/h2-15,24H,16H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 388.47 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 139222324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).