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

C25H23N7O3S — CID 90272114

IUPACN-[3-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C25H23N7O3S/c1-17-5-9-19(10-6-17)32-23(28-25(33)21-16-27-31-14-4-13-26-24(21)31)15-22(29-32)18-7-11-20(12-8-18)36(34,35)30(2)3/h4-16H,1-3H3,(H,28,33)
InChIKeyNFMZXNNKBUUGPK-UHFFFAOYSA-N
MW501.57 g/mol
LogP3.39
Rot. Bonds6

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

N-[3-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90272114) has the molecular formula C25H23N7O3S and a molecular weight of 501.57 g/mol. Its IUPAC name is N-[3-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90272114
Molecular FormulaC25H23N7O3S
Molecular Weight501.57 g/mol
Exact Mass501.16
IUPAC NameN-[3-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C25H23N7O3S/c1-17-5-9-19(10-6-17)32-23(28-25(33)21-16-27-31-14-4-13-26-24(21)31)15-22(29-32)18-7-11-20(12-8-18)36(34,35)30(2)3/h4-16H,1-3H3,(H,28,33)
InChIKeyNFMZXNNKBUUGPK-UHFFFAOYSA-N
XLogP3.39
TPSA114.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.57
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90272114) is N-[3-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cc2NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[3-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NFMZXNNKBUUGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3S/c1-17-5-9-19(10-6-17)32-23(28-25(33)21-16-27-31-14-4-13-26-24(21)31)15-22(29-32)18-7-11-20(12-8-18)36(34,35)30(2)3/h4-16H,1-3H3,(H,28,33).
What are the key properties of N-[3-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 501.57 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90272114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).