N-(3-cyanophenyl)sulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H17N5O4S — CID 158921697

IUPACN-(3-cyanophenyl)sulfonyl-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)c1cccc(C#N)c1
InChIInChI=1S/C22H17N5O4S/c1-13-19(21(28)26-32(30,31)17-10-6-7-15(11-17)12-23)22(29)27-20(24-13)18(14(2)25-27)16-8-4-3-5-9-16/h3-11,25H,1-2H3,(H,26,28)
InChIKeyDKFJCIHRRQWSKA-UHFFFAOYSA-N
MW447.48 g/mol
LogP2.30
Rot. Bonds4

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

N-(3-cyanophenyl)sulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 158921697) has the molecular formula C22H17N5O4S and a molecular weight of 447.48 g/mol. Its IUPAC name is N-(3-cyanophenyl)sulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)sulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID158921697
Molecular FormulaC22H17N5O4S
Molecular Weight447.48 g/mol
Exact Mass447.10
IUPAC NameN-(3-cyanophenyl)sulfonyl-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)c1cccc(C#N)c1
InChIInChI=1S/C22H17N5O4S/c1-13-19(21(28)26-32(30,31)17-10-6-7-15(11-17)12-23)22(29)27-20(24-13)18(14(2)25-27)16-8-4-3-5-9-16/h3-11,25H,1-2H3,(H,26,28)
InChIKeyDKFJCIHRRQWSKA-UHFFFAOYSA-N
XLogP2.30
TPSA137.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)sulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-cyanophenyl)sulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 158921697) is N-(3-cyanophenyl)sulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)sulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)sulfonyl-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)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)sulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is DKFJCIHRRQWSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O4S/c1-13-19(21(28)26-32(30,31)17-10-6-7-15(11-17)12-23)22(29)27-20(24-13)18(14(2)25-27)16-8-4-3-5-9-16/h3-11,25H,1-2H3,(H,26,28).
What are the key properties of N-(3-cyanophenyl)sulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(3-cyanophenyl)sulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 447.48 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)sulfonyl-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 158921697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).