1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine

C22H29N7 — CID 70915375

About 1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine

1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine (PubChem CID 70915375) has the molecular formula C22H29N7 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine.

Molecular Properties

• Compound Name: 1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine
• PubChem CID: 70915375
• Molecular Formula: C22H29N7
• Molecular Weight: 391.52 g/mol
• Exact Mass: 391.25
• IUPAC Name: 1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine
• SMILES: Cc1c(CN2CCN(c3nccnc3-c3ccc(C(C)N)cc3)CC2)cnn1C
• InChI: InChI=1S/C22H29N7/c1-16(23)18-4-6-19(7-5-18)21-22(25-9-8-24-21)29-12-10-28(11-13-29)15-20-14-26-27(3)17(20)2/h4-9,14,16H,10-13,15,23H2,1-3H3
• InChIKey: KKEINVPTRRIEGK-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 76.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.52
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine?

The IUPAC name of 1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine (CID 70915375) is 1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine.

What is the SMILES notation for 1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine?

The canonical SMILES for 1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine is Cc1c(CN2CCN(c3nccnc3-c3ccc(C(C)N)cc3)CC2)cnn1C.

What is the InChIKey of 1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine?

The InChIKey is KKEINVPTRRIEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7/c1-16(23)18-4-6-19(7-5-18)21-22(25-9-8-24-21)29-12-10-28(11-13-29)15-20-14-26-27(3)17(20)2/h4-9,14,16H,10-13,15,23H2,1-3H3.

What are the key properties of 1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine?

1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine has a molecular weight of 391.52 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine is sourced from PubChem (CID 70915375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).