methyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate

C15H15N5O5S — CID 166332080

IUPACmethyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC(=O)c2cnc3ccnn3c2C)n(C)c1
InChIInChI=1S/C15H15N5O5S/c1-9-11(7-16-12-4-5-17-20(9)12)14(21)18-26(23,24)13-6-10(8-19(13)2)15(22)25-3/h4-8H,1-3H3,(H,18,21)
InChIKeyZRLIHYIQNCFQQB-UHFFFAOYSA-N
MW377.38 g/mol
LogP0.28
Rot. Bonds4

About methyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate

methyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate (PubChem CID 166332080) has the molecular formula C15H15N5O5S and a molecular weight of 377.38 g/mol. Its IUPAC name is methyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate
PubChem CID166332080
Molecular FormulaC15H15N5O5S
Molecular Weight377.38 g/mol
Exact Mass377.08
IUPAC Namemethyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC(=O)c2cnc3ccnn3c2C)n(C)c1
InChIInChI=1S/C15H15N5O5S/c1-9-11(7-16-12-4-5-17-20(9)12)14(21)18-26(23,24)13-6-10(8-19(13)2)15(22)25-3/h4-8H,1-3H3,(H,18,21)
InChIKeyZRLIHYIQNCFQQB-UHFFFAOYSA-N
XLogP0.28
TPSA124.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(5-cyano-3-pyridinyl)sulfonyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 167787090
N-(5-bromo-6-chloro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 166332128
methyl pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 130118834
N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 166302285
methyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate
CID 166302235
7-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 56869323
N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 166332112
(1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 166332109
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 118786887
1-[4-[4-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 77094797
N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 167973314
1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 167952889

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate?
The IUPAC name of methyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate (CID 166332080) is methyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate is COC(=O)c1cc(S(=O)(=O)NC(=O)c2cnc3ccnn3c2C)n(C)c1.
What is the InChIKey of methyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate?
The InChIKey is ZRLIHYIQNCFQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O5S/c1-9-11(7-16-12-4-5-17-20(9)12)14(21)18-26(23,24)13-6-10(8-19(13)2)15(22)25-3/h4-8H,1-3H3,(H,18,21).
What are the key properties of methyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate?
methyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate has a molecular weight of 377.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate is sourced from PubChem (CID 166332080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).