3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide

C15H17N5O4S — CID 70738904

About 3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide

3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 70738904) has the molecular formula C15H17N5O4S and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

• Compound Name: 3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide
• PubChem CID: 70738904
• Molecular Formula: C15H17N5O4S
• Molecular Weight: 363.40 g/mol
• Exact Mass: 363.10
• IUPAC Name: 3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide
• SMILES: Cn1c(=O)oc2cc(S(=O)(=O)NCc3cc4n(n3)CCNC4)ccc21
• InChI: InChI=1S/C15H17N5O4S/c1-19-13-3-2-12(7-14(13)24-15(19)21)25(22,23)17-8-10-6-11-9-16-4-5-20(11)18-10/h2-3,6-7,16-17H,4-5,8-9H2,1H3
• InChIKey: PTVHNZDGYYEXQX-UHFFFAOYSA-N
• XLogP: -0.09
• TPSA: 111.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.40
LogP ≤ 5	-0.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide?

The IUPAC name of 3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide (CID 70738904) is 3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide.

What is the SMILES notation for 3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide?

The canonical SMILES for 3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)NCc3cc4n(n3)CCNC4)ccc21.

What is the InChIKey of 3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide?

The InChIKey is PTVHNZDGYYEXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4S/c1-19-13-3-2-12(7-14(13)24-15(19)21)25(22,23)17-8-10-6-11-9-16-4-5-20(11)18-10/h2-3,6-7,16-17H,4-5,8-9H2,1H3.

What are the key properties of 3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide?

3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 363.40 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 70738904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).