7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H17F2N5O3S — CID 2945206

IUPAC7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)cc1
InChIInChI=1S/C21H17F2N5O3S/c1-24-32(30,31)15-9-7-14(8-10-15)26-21(29)16-12-25-28-18(19(22)23)11-17(27-20(16)28)13-5-3-2-4-6-13/h2-12,19,24H,1H3,(H,26,29)
InChIKeyKYDXOETYMSFDFZ-UHFFFAOYSA-N
MW457.46 g/mol
LogP3.49
Rot. Bonds6

About 7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2945206) has the molecular formula C21H17F2N5O3S and a molecular weight of 457.46 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2945206
Molecular FormulaC21H17F2N5O3S
Molecular Weight457.46 g/mol
Exact Mass457.10
IUPAC Name7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)cc1
InChIInChI=1S/C21H17F2N5O3S/c1-24-32(30,31)15-9-7-14(8-10-15)26-21(29)16-12-25-28-18(19(22)23)11-17(27-20(16)28)13-5-3-2-4-6-13/h2-12,19,24H,1H3,(H,26,29)
InChIKeyKYDXOETYMSFDFZ-UHFFFAOYSA-N
XLogP3.49
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2945206) is 7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)cc1.
What is the InChIKey of 7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KYDXOETYMSFDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O3S/c1-24-32(30,31)15-9-7-14(8-10-15)26-21(29)16-12-25-28-18(19(22)23)11-17(27-20(16)28)13-5-3-2-4-6-13/h2-12,19,24H,1H3,(H,26,29).
What are the key properties of 7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 457.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2945206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).