4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide

C21H20N4O2S — CID 10500726

IUPAC4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn3c(C)c(C)cnc23)cc1
InChIInChI=1S/C21H20N4O2S/c1-13-4-6-16(7-5-13)19-20(17-8-10-18(11-9-17)28(22,26)27)24-25-15(3)14(2)12-23-21(19)25/h4-12H,1-3H3,(H2,22,26,27)
InChIKeyZAWZPAUDERZGKO-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.64
Rot. Bonds3

About 4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide

4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide (PubChem CID 10500726) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
PubChem CID10500726
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn3c(C)c(C)cnc23)cc1
InChIInChI=1S/C21H20N4O2S/c1-13-4-6-16(7-5-13)19-20(17-8-10-18(11-9-17)28(22,26)27)24-25-15(3)14(2)12-23-21(19)25/h4-12H,1-3H3,(H2,22,26,27)
InChIKeyZAWZPAUDERZGKO-UHFFFAOYSA-N
XLogP3.64
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of 4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide (CID 10500726) is 4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide is Cc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn3c(C)c(C)cnc23)cc1.
What is the InChIKey of 4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide?
The InChIKey is ZAWZPAUDERZGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-13-4-6-16(7-5-13)19-20(17-8-10-18(11-9-17)28(22,26)27)24-25-15(3)14(2)12-23-21(19)25/h4-12H,1-3H3,(H2,22,26,27).
What are the key properties of 4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide?
4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 10500726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).