ethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate

C17H17N5O5S — CID 164628914

IUPACethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(NC(=O)c3ccc(S(N)(=O)=O)cc3)cnn2c1C
InChIInChI=1S/C17H17N5O5S/c1-3-27-17(24)13-8-19-15-14(9-20-22(15)10(13)2)21-16(23)11-4-6-12(7-5-11)28(18,25)26/h4-9H,3H2,1-2H3,(H,21,23)(H2,18,25,26)
InChIKeyDINHQMAZFSERAX-UHFFFAOYSA-N
MW403.42 g/mol
LogP1.11
Rot. Bonds5

About ethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 164628914) has the molecular formula C17H17N5O5S and a molecular weight of 403.42 g/mol. Its IUPAC name is ethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID164628914
Molecular FormulaC17H17N5O5S
Molecular Weight403.42 g/mol
Exact Mass403.10
IUPAC Nameethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(NC(=O)c3ccc(S(N)(=O)=O)cc3)cnn2c1C
InChIInChI=1S/C17H17N5O5S/c1-3-27-17(24)13-8-19-15-14(9-20-22(15)10(13)2)21-16(23)11-4-6-12(7-5-11)28(18,25)26/h4-9H,3H2,1-2H3,(H,21,23)(H2,18,25,26)
InChIKeyDINHQMAZFSERAX-UHFFFAOYSA-N
XLogP1.11
TPSA145.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 164628914) is ethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(NC(=O)c3ccc(S(N)(=O)=O)cc3)cnn2c1C.
What is the InChIKey of ethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is DINHQMAZFSERAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O5S/c1-3-27-17(24)13-8-19-15-14(9-20-22(15)10(13)2)21-16(23)11-4-6-12(7-5-11)28(18,25)26/h4-9H,3H2,1-2H3,(H,21,23)(H2,18,25,26).
What are the key properties of ethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 403.42 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-3-[(4-sulfamoylbenzoyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 164628914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).