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

C21H28N4O — CID 56898003

IUPAC3-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C21H28N4O/c1-17-8-10-22-25(17)11-9-21(26)24-14-12-23(13-15-24)20-7-6-18-4-2-3-5-19(18)16-20/h2-5,8,10,20H,6-7,9,11-16H2,1H3
InChIKeyHBSZSSMZDOFTHI-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.28
Rot. Bonds4

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

3-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 56898003) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one
PubChem CID56898003
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name3-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C21H28N4O/c1-17-8-10-22-25(17)11-9-21(26)24-14-12-23(13-15-24)20-7-6-18-4-2-3-5-19(18)16-20/h2-5,8,10,20H,6-7,9,11-16H2,1H3
InChIKeyHBSZSSMZDOFTHI-UHFFFAOYSA-N
XLogP2.28
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one (CID 56898003) is 3-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one is Cc1ccnn1CCC(=O)N1CCN(C2CCc3ccccc3C2)CC1.
What is the InChIKey of 3-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is HBSZSSMZDOFTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17-8-10-22-25(17)11-9-21(26)24-14-12-23(13-15-24)20-7-6-18-4-2-3-5-19(18)16-20/h2-5,8,10,20H,6-7,9,11-16H2,1H3.
What are the key properties of 3-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one?
3-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 352.48 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazol-1-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56898003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).