N-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H17FN4O3S — CID 46974590

IUPACN-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(F)cc1)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C21H17FN4O3S/c22-16-6-8-17(9-7-16)30(28,29)13-12-24-21(27)18-14-25-26-19(10-11-23-20(18)26)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,24,27)
InChIKeyXCOARDUAGIGVAT-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.74
Rot. Bonds6

About N-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46974590) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46974590
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC NameN-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(F)cc1)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C21H17FN4O3S/c22-16-6-8-17(9-7-16)30(28,29)13-12-24-21(27)18-14-25-26-19(10-11-23-20(18)26)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,24,27)
InChIKeyXCOARDUAGIGVAT-UHFFFAOYSA-N
XLogP2.74
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46974590) is N-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XCOARDUAGIGVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c22-16-6-8-17(9-7-16)30(28,29)13-12-24-21(27)18-14-25-26-19(10-11-23-20(18)26)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,24,27).
What are the key properties of N-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonylethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46974590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).