5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C16H19N5O4S — CID 146043406

IUPAC5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN1CCn2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1=O
InChIInChI=1S/C16H19N5O4S/c1-20-8-9-21-14(16(20)23)10-13(19-21)15(22)18-7-6-11-2-4-12(5-3-11)26(17,24)25/h2-5,10H,6-9H2,1H3,(H,18,22)(H2,17,24,25)
InChIKeyMVBXCMJYCWOKKP-UHFFFAOYSA-N
MW377.43 g/mol
LogP-0.41
Rot. Bonds5

About 5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 146043406) has the molecular formula C16H19N5O4S and a molecular weight of 377.43 g/mol. Its IUPAC name is 5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID146043406
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC Name5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN1CCn2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1=O
InChIInChI=1S/C16H19N5O4S/c1-20-8-9-21-14(16(20)23)10-13(19-21)15(22)18-7-6-11-2-4-12(5-3-11)26(17,24)25/h2-5,10H,6-9H2,1H3,(H,18,22)(H2,17,24,25)
InChIKeyMVBXCMJYCWOKKP-UHFFFAOYSA-N
XLogP-0.41
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 20919483
N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146040508
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide
CID 103511158
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146046453
6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109364662
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109331655
N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 165352801
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384826
(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 9378546
N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18272294
2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109319696

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 146043406) is 5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is CN1CCn2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1=O.
What is the InChIKey of 5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is MVBXCMJYCWOKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4S/c1-20-8-9-21-14(16(20)23)10-13(19-21)15(22)18-7-6-11-2-4-12(5-3-11)26(17,24)25/h2-5,10H,6-9H2,1H3,(H,18,22)(H2,17,24,25).
What are the key properties of 5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 377.43 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 146043406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).