2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide

C17H19N5O3S — CID 70730287

IUPAC2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(-c2ccno2)cc1S(=O)(=O)NCc1cc2n(n1)CCNC2
InChIInChI=1S/C17H19N5O3S/c1-12-2-3-13(16-4-5-19-25-16)8-17(12)26(23,24)20-10-14-9-15-11-18-6-7-22(15)21-14/h2-5,8-9,18,20H,6-7,10-11H2,1H3
InChIKeyCPVZYYXNYSMMOY-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.43
Rot. Bonds5

About 2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide

2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide (PubChem CID 70730287) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide
PubChem CID70730287
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(-c2ccno2)cc1S(=O)(=O)NCc1cc2n(n1)CCNC2
InChIInChI=1S/C17H19N5O3S/c1-12-2-3-13(16-4-5-19-25-16)8-17(12)26(23,24)20-10-14-9-15-11-18-6-7-22(15)21-14/h2-5,8-9,18,20H,6-7,10-11H2,1H3
InChIKeyCPVZYYXNYSMMOY-UHFFFAOYSA-N
XLogP1.43
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(1-methyltriazol-4-yl)methyl]-3-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]benzamide
CID 145958678
2-Methyl-5-(3-methyl-1,2-oxazol-5-YL)-N-[(pyridin-3-YL)methyl]benzene-1-sulfonamide
CID 20934906
3-[1-(1-Ethyl-5-methylpyrazol-4-yl)sulfonylazepan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole
CID 46955584
3-[(4-{[1-(Difluoromethyl)-5-methyl-1H-pyrazol-4-YL]sulfonyl}piperazin-1-YL)methyl]-1,2-benzoxazole
CID 46379754
3-[(2R)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylazepan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole
CID 92589686
3-[(2S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylazepan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole
CID 92589687
N-isopropyl-2-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-[5-(trifluoromethyl)isoxazol-3-yl]benzenesulfonamide
CID 132421244
1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide
CID 166317115
5-(3,4-dimethylisoxazol-5-yl)-2-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 20935450
5-(3,4-Dimethyl-1,2-oxazol-5-YL)-2-methyl-N-[(pyridin-3-YL)methyl]benzene-1-sulfonamide
CID 20935451
N~1~,2-Dimethyl-5-(3-methyl-5-isoxazolyl)-N~1~-[(1-phenyl-1H-pyrazol-4-YL)methyl]-1-benzenesulfonamide
CID 20935774
2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 20936323

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide (CID 70730287) is 2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide is Cc1ccc(-c2ccno2)cc1S(=O)(=O)NCc1cc2n(n1)CCNC2.
What is the InChIKey of 2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide?
The InChIKey is CPVZYYXNYSMMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-12-2-3-13(16-4-5-19-25-16)8-17(12)26(23,24)20-10-14-9-15-11-18-6-7-22(15)21-14/h2-5,8-9,18,20H,6-7,10-11H2,1H3.
What are the key properties of 2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide?
2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide has a molecular weight of 373.44 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,2-oxazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 70730287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).