N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide

C16H21ClN4O2S — CID 131677673

About N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide

N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide (PubChem CID 131677673) has the molecular formula C16H21ClN4O2S and a molecular weight of 368.89 g/mol. Its IUPAC name is N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
• PubChem CID: 131677673
• Molecular Formula: C16H21ClN4O2S
• Molecular Weight: 368.89 g/mol
• Exact Mass: 368.11
• IUPAC Name: N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
• SMILES: CS(=O)(=O)NCCC1CN(Cc2cccc(Cl)c2)Cc2ccnn21
• InChI: InChI=1S/C16H21ClN4O2S/c1-24(22,23)19-8-6-16-12-20(11-15-5-7-18-21(15)16)10-13-3-2-4-14(17)9-13/h2-5,7,9,16,19H,6,8,10-12H2,1H3
• InChIKey: MQUATDSJGVJCDO-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.89
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?

The IUPAC name of N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide (CID 131677673) is N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide.

What is the SMILES notation for N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?

The canonical SMILES for N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CN(Cc2cccc(Cl)c2)Cc2ccnn21.

What is the InChIKey of N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?

The InChIKey is MQUATDSJGVJCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2S/c1-24(22,23)19-8-6-16-12-20(11-15-5-7-18-21(15)16)10-13-3-2-4-14(17)9-13/h2-5,7,9,16,19H,6,8,10-12H2,1H3.

What are the key properties of N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide?

N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide has a molecular weight of 368.89 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 131677673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).