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

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 167885048
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9348757
1-(2,6-dimethylmorpholin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 78782485
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 90507503
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 167761680
1-[4-[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone
CID 118716866
2-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-1-yl]acetonitrile
CID 719503
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 92633834
3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110853147
1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
4-methyl-1-[1-[(Z)-4-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]but-2-enyl]azetidin-3-yl]pyrazole
CID 98507020

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).