N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C27H19Cl2FN4O — CID 46080104

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C27H19Cl2FN4O/c28-20-9-6-17(22(29)14-20)12-13-31-27(35)25-15-23(19-7-10-21(30)11-8-19)32-26-16-24(33-34(25)26)18-4-2-1-3-5-18/h1-11,14-16H,12-13H2,(H,31,35)
InChIKeyXOZBLQZQBUZEAE-UHFFFAOYSA-N
MW505.38 g/mol
LogP6.48
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46080104) has the molecular formula C27H19Cl2FN4O and a molecular weight of 505.38 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID46080104
Molecular FormulaC27H19Cl2FN4O
Molecular Weight505.38 g/mol
Exact Mass504.09
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C27H19Cl2FN4O/c28-20-9-6-17(22(29)14-20)12-13-31-27(35)25-15-23(19-7-10-21(30)11-8-19)32-26-16-24(33-34(25)26)18-4-2-1-3-5-18/h1-11,14-16H,12-13H2,(H,31,35)
InChIKeyXOZBLQZQBUZEAE-UHFFFAOYSA-N
XLogP6.48
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.38
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42660564
2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079173
2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170554
2-(4-chlorophenyl)-5-(2-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877638
2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877602
2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080268
N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877528
5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93009070
N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42659791
2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079784
N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877537
5-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080130

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46080104) is N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is XOZBLQZQBUZEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2FN4O/c28-20-9-6-17(22(29)14-20)12-13-31-27(35)25-15-23(19-7-10-21(30)11-8-19)32-26-16-24(33-34(25)26)18-4-2-1-3-5-18/h1-11,14-16H,12-13H2,(H,31,35).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 505.38 g/mol, XLogP of 6.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46080104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).