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

C27H22N4O — CID 46079173

IUPAC2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C27H22N4O/c32-27(28-17-16-20-10-4-1-5-11-20)25-18-23(21-12-6-2-7-13-21)29-26-19-24(30-31(25)26)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H,28,32)
InChIKeyKXUDFXMZKBKOEA-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.04
Rot. Bonds6

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

2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46079173) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is 2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID46079173
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC Name2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C27H22N4O/c32-27(28-17-16-20-10-4-1-5-11-20)25-18-23(21-12-6-2-7-13-21)29-26-19-24(30-31(25)26)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H,28,32)
InChIKeyKXUDFXMZKBKOEA-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

2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170554
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080104
N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877537
N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93008842
5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080172
5-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080130
1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 46105456
1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide
CID 139014474
N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877528
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
2-(4-chlorophenyl)-5-(2-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877638
2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84576023

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46079173) is 2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is O=C(NCCc1ccccc1)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of 2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is KXUDFXMZKBKOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O/c32-27(28-17-16-20-10-4-1-5-11-20)25-18-23(21-12-6-2-7-13-21)29-26-19-24(30-31(25)26)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H,28,32).
What are the key properties of 2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-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 2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46079173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).