5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H22N4O — CID 171981655

IUPAC5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C27H22N4O/c32-27(28-17-16-20-10-4-1-5-11-20)23-19-29-31-25(22-14-8-3-9-15-22)18-24(30-26(23)31)21-12-6-2-7-13-21/h1-15,18-19H,16-17H2,(H,28,32)
InChIKeyAPAAINMUKQGKHQ-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.04
Rot. Bonds6

About 5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 171981655) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is 5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID171981655
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC Name5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C27H22N4O/c32-27(28-17-16-20-10-4-1-5-11-20)23-19-29-31-25(22-14-8-3-9-15-22)18-24(30-26(23)31)21-12-6-2-7-13-21/h1-15,18-19H,16-17H2,(H,28,32)
InChIKeyAPAAINMUKQGKHQ-UHFFFAOYSA-N
XLogP5.04
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5074183
N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50793889
N-(3-morpholin-4-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298706
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92750093
N-benzyl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3553852
7-(difluoromethyl)-N-(3-methylbutyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3596557
7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19590027
N-(3-chloro-2-methylphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981658
N-[2-[benzyl(methyl)amino]ethyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3262968
N-(2-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1365389
(2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 4118984
N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4087808

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 171981655) is 5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCc1ccccc1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is APAAINMUKQGKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O/c32-27(28-17-16-20-10-4-1-5-11-20)23-19-29-31-25(22-14-8-3-9-15-22)18-24(30-26(23)31)21-12-6-2-7-13-21/h1-15,18-19H,16-17H2,(H,28,32).
What are the key properties of 5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 171981655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).