2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

C19H25N5O — CID 56780744

IUPAC2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1cnn(C2CN(CC(=O)N3CCN(c4ccccc4)CC3)C2)c1
InChIInChI=1S/C19H25N5O/c1-16-11-20-24(12-16)18-13-21(14-18)15-19(25)23-9-7-22(8-10-23)17-5-3-2-4-6-17/h2-6,11-12,18H,7-10,13-15H2,1H3
InChIKeyXGGHOKATGAJNKI-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.40
Rot. Bonds4

About 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 56780744) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID56780744
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1cnn(C2CN(CC(=O)N3CCN(c4ccccc4)CC3)C2)c1
InChIInChI=1S/C19H25N5O/c1-16-11-20-24(12-16)18-13-21(14-18)15-19(25)23-9-7-22(8-10-23)17-5-3-2-4-6-17/h2-6,11-12,18H,7-10,13-15H2,1H3
InChIKeyXGGHOKATGAJNKI-UHFFFAOYSA-N
XLogP1.40
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone 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 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 56780744) is 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is Cc1cnn(C2CN(CC(=O)N3CCN(c4ccccc4)CC3)C2)c1.
What is the InChIKey of 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is XGGHOKATGAJNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-16-11-20-24(12-16)18-13-21(14-18)15-19(25)23-9-7-22(8-10-23)17-5-3-2-4-6-17/h2-6,11-12,18H,7-10,13-15H2,1H3.
What are the key properties of 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 339.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 56780744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).