N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide

C15H20N4O3S2 — CID 124790041

About N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide

N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide (PubChem CID 124790041) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
• PubChem CID: 124790041
• Molecular Formula: C15H20N4O3S2
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.10
• IUPAC Name: N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
• SMILES: Cc1ccc(C(=O)N2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)s1
• InChI: InChI=1S/C15H20N4O3S2/c1-11-3-4-14(23-11)15(20)18-9-12-5-7-16-19(12)13(10-18)6-8-17-24(2,21)22/h3-5,7,13,17H,6,8-10H2,1-2H3/t13-/m0/s1
• InChIKey: KUMBYRWLNQAAEL-ZDUSSCGKSA-N
• XLogP: 1.39
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?

The IUPAC name of N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide (CID 124790041) is N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide.

What is the SMILES notation for N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?

The canonical SMILES for N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide is Cc1ccc(C(=O)N2Cc3ccnn3[C@@H](CCNS(C)(=O)=O)C2)s1.

What is the InChIKey of N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?

The InChIKey is KUMBYRWLNQAAEL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-11-3-4-14(23-11)15(20)18-9-12-5-7-16-19(12)13(10-18)6-8-17-24(2,21)22/h3-5,7,13,17H,6,8-10H2,1-2H3/t13-/m0/s1.

What are the key properties of N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?

N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(7S)-5-(5-methylthiophene-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 124790041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).