5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H13Cl2F2N5O3S — CID 11656447

IUPAC5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(Cl)c(Cl)c4)nc23)c1
InChIInChI=1S/C20H13Cl2F2N5O3S/c21-14-5-4-10(6-15(14)22)16-8-17(18(23)24)29-19(28-16)13(9-26-29)20(30)27-11-2-1-3-12(7-11)33(25,31)32/h1-9,18H,(H,27,30)(H2,25,31,32)
InChIKeyZIVIJVRFVVZXQN-UHFFFAOYSA-N
MW512.33 g/mol
LogP4.54
Rot. Bonds5

About 5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 11656447) has the molecular formula C20H13Cl2F2N5O3S and a molecular weight of 512.33 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID11656447
Molecular FormulaC20H13Cl2F2N5O3S
Molecular Weight512.33 g/mol
Exact Mass511.01
IUPAC Name5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(Cl)c(Cl)c4)nc23)c1
InChIInChI=1S/C20H13Cl2F2N5O3S/c21-14-5-4-10(6-15(14)22)16-8-17(18(23)24)29-19(28-16)13(9-26-29)20(30)27-11-2-1-3-12(7-11)33(25,31)32/h1-9,18H,(H,27,30)(H2,25,31,32)
InChIKeyZIVIJVRFVVZXQN-UHFFFAOYSA-N
XLogP4.54
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.33
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2945206
N-[2-(4-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2168987
7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(2-toluidinosulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995523
N-(3,4-dichlorophenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46907775
7-(difluoromethyl)-N-[3-(4-morpholinylsulfonyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2945612
N-(5-chloro-2-methylphenyl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995374
N-(3,4-dichlorophenyl)-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46907773
7-(4-chlorophenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129857719
N-[2-(4-chlorophenyl)ethyl]-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995513
N-(2,3-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1113900
N-(4-chlorophenyl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1307140
7-(difluoromethyl)-5-phenyl-N-[4-(1-pyrrolidinylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2168939

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 11656447) is 5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is NS(=O)(=O)c1cccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(Cl)c(Cl)c4)nc23)c1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZIVIJVRFVVZXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F2N5O3S/c21-14-5-4-10(6-15(14)22)16-8-17(18(23)24)29-19(28-16)13(9-26-29)20(30)27-11-2-1-3-12(7-11)33(25,31)32/h1-9,18H,(H,27,30)(H2,25,31,32).
What are the key properties of 5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 512.33 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 11656447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).