N-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H20N4O4S — CID 158715820

IUPACN-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1C(=O)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C22H20N4O4S/c1-14-19(21(27)25-31(29,30)13-16-9-5-3-6-10-16)22(28)26-20(23-14)18(15(2)24-26)17-11-7-4-8-12-17/h3-12,24H,13H2,1-2H3,(H,25,27)
InChIKeyKWSLPAWCAGTIRH-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.57
Rot. Bonds5

About N-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 158715820) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID158715820
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC NameN-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1C(=O)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C22H20N4O4S/c1-14-19(21(27)25-31(29,30)13-16-9-5-3-6-10-16)22(28)26-20(23-14)18(15(2)24-26)17-11-7-4-8-12-17/h3-12,24H,13H2,1-2H3,(H,25,27)
InChIKeyKWSLPAWCAGTIRH-UHFFFAOYSA-N
XLogP2.57
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 158715820) is N-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1C(=O)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KWSLPAWCAGTIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-14-19(21(27)25-31(29,30)13-16-9-5-3-6-10-16)22(28)26-20(23-14)18(15(2)24-26)17-11-7-4-8-12-17/h3-12,24H,13H2,1-2H3,(H,25,27).
What are the key properties of N-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 158715820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).