3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine

C25H19N3 — CID 15285460

IUPAC3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
SMILESc1ccc(Cc2cnn3c(-c4ccccc4)cc(-c4ccccc4)nc23)cc1
InChIInChI=1S/C25H19N3/c1-4-10-19(11-5-1)16-22-18-26-28-24(21-14-8-3-9-15-21)17-23(27-25(22)28)20-12-6-2-7-13-20/h1-15,17-18H,16H2
InChIKeyLBHMBCGDUAIAHD-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.65
Rot. Bonds4

About 3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine

3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine (PubChem CID 15285460) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
PubChem CID15285460
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC Name3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
SMILESc1ccc(Cc2cnn3c(-c4ccccc4)cc(-c4ccccc4)nc23)cc1
InChIInChI=1S/C25H19N3/c1-4-10-19(11-5-1)16-22-18-26-28-24(21-14-8-3-9-15-21)17-23(27-25(22)28)20-12-6-2-7-13-20/h1-15,17-18H,16H2
InChIKeyLBHMBCGDUAIAHD-UHFFFAOYSA-N
XLogP5.65
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981655
3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine
CID 82274288
N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50793889
(2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 4118984
2-(4,6-diphenylpyrimidin-2-yl)-3,5,7-triphenylpyrazolo[1,5-a]pyrimidine
CID 145133537
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92750093
7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 159834441
3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 82274804
2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 625431
5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 53212228
3-hexyl-7-(iodomethyl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 89324757
8-benzyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 24874297

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine (CID 15285460) is 3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine is c1ccc(Cc2cnn3c(-c4ccccc4)cc(-c4ccccc4)nc23)cc1.
What is the InChIKey of 3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is LBHMBCGDUAIAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3/c1-4-10-19(11-5-1)16-22-18-26-28-24(21-14-8-3-9-15-21)17-23(27-25(22)28)20-12-6-2-7-13-20/h1-15,17-18H,16H2.
What are the key properties of 3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 361.45 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15285460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).