2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone

C20H26N4O — CID 56905036

IUPAC2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone
SMILESCc1ccnn1CC(=O)N1CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H26N4O/c1-16-8-9-21-24(16)15-20(25)23-12-10-22(11-13-23)19-7-6-17-4-2-3-5-18(17)14-19/h2-5,8-9,19H,6-7,10-15H2,1H3
InChIKeyNBXJNVMTBHDDMG-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.89
Rot. Bonds3

About 2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone

2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone (PubChem CID 56905036) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone
PubChem CID56905036
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone
SMILESCc1ccnn1CC(=O)N1CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H26N4O/c1-16-8-9-21-24(16)15-20(25)23-12-10-22(11-13-23)19-7-6-17-4-2-3-5-18(17)14-19/h2-5,8-9,19H,6-7,10-15H2,1H3
InChIKeyNBXJNVMTBHDDMG-UHFFFAOYSA-N
XLogP1.89
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone (CID 56905036) is 2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone is Cc1ccnn1CC(=O)N1CCN(C2CCc3ccccc3C2)CC1.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone?
The InChIKey is NBXJNVMTBHDDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-8-9-21-24(16)15-20(25)23-12-10-22(11-13-23)19-7-6-17-4-2-3-5-18(17)14-19/h2-5,8-9,19H,6-7,10-15H2,1H3.
What are the key properties of 2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone?
2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone has a molecular weight of 338.46 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 56905036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).