5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C19H14Cl2N6O4S — CID 20731724

IUPAC5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESNc1nc2c(Cl)c(-c3ccc(Cl)cc3)[nH]n2c(=O)c1C(=O)NS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H14Cl2N6O4S/c20-11-8-6-10(7-9-11)15-14(21)17-23-16(22)13(19(29)27(17)24-15)18(28)26-32(30,31)25-12-4-2-1-3-5-12/h1-9,24-25H,22H2,(H,26,28)
InChIKeyFRGBZATYWCXRGI-UHFFFAOYSA-N
MW493.33 g/mol
LogP2.67
Rot. Bonds5

About 5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 20731724) has the molecular formula C19H14Cl2N6O4S and a molecular weight of 493.33 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID20731724
Molecular FormulaC19H14Cl2N6O4S
Molecular Weight493.33 g/mol
Exact Mass492.02
IUPAC Name5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESNc1nc2c(Cl)c(-c3ccc(Cl)cc3)[nH]n2c(=O)c1C(=O)NS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H14Cl2N6O4S/c20-11-8-6-10(7-9-11)15-14(21)17-23-16(22)13(19(29)27(17)24-15)18(28)26-32(30,31)25-12-4-2-1-3-5-12/h1-9,24-25H,22H2,(H,26,28)
InChIKeyFRGBZATYWCXRGI-UHFFFAOYSA-N
XLogP2.67
TPSA151.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.33
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 20731724) is 5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is Nc1nc2c(Cl)c(-c3ccc(Cl)cc3)[nH]n2c(=O)c1C(=O)NS(=O)(=O)Nc1ccccc1.
What is the InChIKey of 5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FRGBZATYWCXRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N6O4S/c20-11-8-6-10(7-9-11)15-14(21)17-23-16(22)13(19(29)27(17)24-15)18(28)26-32(30,31)25-12-4-2-1-3-5-12/h1-9,24-25H,22H2,(H,26,28).
What are the key properties of 5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 493.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(4-chlorophenyl)-7-oxo-N-(phenylsulfamoyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20731724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).