N-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H21N7O3S — CID 90272324

IUPACN-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H21N7O3S/c1-16-4-8-18(9-5-16)31-22(28-24(32)20-15-27-30-13-3-12-26-23(20)30)14-21(29-31)17-6-10-19(11-7-17)35(33,34)25-2/h3-15,25H,1-2H3,(H,28,32)
InChIKeyGUQRKWPPMIILSC-UHFFFAOYSA-N
MW487.55 g/mol
LogP3.05
Rot. Bonds6

About N-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90272324) has the molecular formula C24H21N7O3S and a molecular weight of 487.55 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90272324
Molecular FormulaC24H21N7O3S
Molecular Weight487.55 g/mol
Exact Mass487.14
IUPAC NameN-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H21N7O3S/c1-16-4-8-18(9-5-16)31-22(28-24(32)20-15-27-30-13-3-12-26-23(20)30)14-21(29-31)17-6-10-19(11-7-17)35(33,34)25-2/h3-15,25H,1-2H3,(H,28,32)
InChIKeyGUQRKWPPMIILSC-UHFFFAOYSA-N
XLogP3.05
TPSA123.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90272324) is N-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNS(=O)(=O)c1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GUQRKWPPMIILSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O3S/c1-16-4-8-18(9-5-16)31-22(28-24(32)20-15-27-30-13-3-12-26-23(20)30)14-21(29-31)17-6-10-19(11-7-17)35(33,34)25-2/h3-15,25H,1-2H3,(H,28,32).
What are the key properties of N-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 487.55 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90272324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).