4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide

C19H17N7O3S — CID 162396021

IUPAC4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccnc3c(/N=N/c4ccc(S(N)(=O)=O)cc4)c(N)nn23)cc1
InChIInChI=1S/C19H17N7O3S/c1-29-14-6-2-12(3-7-14)16-10-11-22-19-17(18(20)25-26(16)19)24-23-13-4-8-15(9-5-13)30(21,27)28/h2-11H,1H3,(H2,20,25)(H2,21,27,28)/b24-23+
InChIKeyBMZCHLZLVYKQMW-WCWDXBQESA-N
MW423.46 g/mol
LogP3.05
Rot. Bonds5

About 4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide

4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide (PubChem CID 162396021) has the molecular formula C19H17N7O3S and a molecular weight of 423.46 g/mol. Its IUPAC name is 4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide
PubChem CID162396021
Molecular FormulaC19H17N7O3S
Molecular Weight423.46 g/mol
Exact Mass423.11
IUPAC Name4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccnc3c(/N=N/c4ccc(S(N)(=O)=O)cc4)c(N)nn23)cc1
InChIInChI=1S/C19H17N7O3S/c1-29-14-6-2-12(3-7-14)16-10-11-22-19-17(18(20)25-26(16)19)24-23-13-4-8-15(9-5-13)30(21,27)28/h2-11H,1H3,(H2,20,25)(H2,21,27,28)/b24-23+
InChIKeyBMZCHLZLVYKQMW-WCWDXBQESA-N
XLogP3.05
TPSA150.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide?
The IUPAC name of 4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide (CID 162396021) is 4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide is COc1ccc(-c2ccnc3c(/N=N/c4ccc(S(N)(=O)=O)cc4)c(N)nn23)cc1.
What is the InChIKey of 4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide?
The InChIKey is BMZCHLZLVYKQMW-WCWDXBQESA-N. The full InChI is InChI=1S/C19H17N7O3S/c1-29-14-6-2-12(3-7-14)16-10-11-22-19-17(18(20)25-26(16)19)24-23-13-4-8-15(9-5-13)30(21,27)28/h2-11H,1H3,(H2,20,25)(H2,21,27,28)/b24-23+.
What are the key properties of 4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide?
4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide has a molecular weight of 423.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide is sourced from PubChem (CID 162396021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).