2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C27H20ClFN4O — CID 46080268

IUPAC2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccc(Cl)cc3)nn12)c1ccccc1
InChIInChI=1S/C27H20ClFN4O/c1-17(18-5-3-2-4-6-18)30-27(34)25-15-23(19-9-13-22(29)14-10-19)31-26-16-24(32-33(25)26)20-7-11-21(28)12-8-20/h2-17H,1H3,(H,30,34)
InChIKeyBHSQJEUCYWKXPG-UHFFFAOYSA-N
MW470.94 g/mol
LogP6.35
Rot. Bonds5

About 2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46080268) has the molecular formula C27H20ClFN4O and a molecular weight of 470.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID46080268
Molecular FormulaC27H20ClFN4O
Molecular Weight470.94 g/mol
Exact Mass470.13
IUPAC Name2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccc(Cl)cc3)nn12)c1ccccc1
InChIInChI=1S/C27H20ClFN4O/c1-17(18-5-3-2-4-6-18)30-27(34)25-15-23(19-9-13-22(29)14-10-19)31-26-16-24(32-33(25)26)20-7-11-21(28)12-8-20/h2-17H,1H3,(H,30,34)
InChIKeyBHSQJEUCYWKXPG-UHFFFAOYSA-N
XLogP6.35
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.94
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93009070
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 7337494
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080104
2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 93009006
N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877528
N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93008842
2-(4-chlorophenyl)-5-(2-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877638
N-tert-butyl-2-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080284
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(1-phenylethyl)propanamide
CID 20863104
2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877602
N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93009055
3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 93014229

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46080268) is 2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is CC(NC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccc(Cl)cc3)nn12)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is BHSQJEUCYWKXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClFN4O/c1-17(18-5-3-2-4-6-18)30-27(34)25-15-23(19-9-13-22(29)14-10-19)31-26-16-24(32-33(25)26)20-7-11-21(28)12-8-20/h2-17H,1H3,(H,30,34).
What are the key properties of 2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 470.94 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46080268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).