3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide

C21H30N6O — CID 70731987

About 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide

3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide (PubChem CID 70731987) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide
• PubChem CID: 70731987
• Molecular Formula: C21H30N6O
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.25
• IUPAC Name: 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide
• SMILES: Cc1cccc(N2CCN(CCC(=O)NCc3cc4n(n3)CCNC4)CC2)c1
• InChI: InChI=1S/C21H30N6O/c1-17-3-2-4-19(13-17)26-11-9-25(10-12-26)7-5-21(28)23-15-18-14-20-16-22-6-8-27(20)24-18/h2-4,13-14,22H,5-12,15-16H2,1H3,(H,23,28)
• InChIKey: VFQMFWHZHMRFSS-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 65.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide?

The IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide (CID 70731987) is 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide.

What is the SMILES notation for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide?

The canonical SMILES for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide is Cc1cccc(N2CCN(CCC(=O)NCc3cc4n(n3)CCNC4)CC2)c1.

What is the InChIKey of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide?

The InChIKey is VFQMFWHZHMRFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-17-3-2-4-19(13-17)26-11-9-25(10-12-26)7-5-21(28)23-15-18-14-20-16-22-6-8-27(20)24-18/h2-4,13-14,22H,5-12,15-16H2,1H3,(H,23,28).

What are the key properties of 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide?

3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide has a molecular weight of 382.51 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-methylphenyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide is sourced from PubChem (CID 70731987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).