2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

C15H19ClN6O — CID 56814512

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCN(c3cnccn3)CC2)c(C)c1Cl
InChIInChI=1S/C15H19ClN6O/c1-11-15(16)12(2)22(19-11)10-14(23)21-7-5-20(6-8-21)13-9-17-3-4-18-13/h3-4,9H,5-8,10H2,1-2H3
InChIKeyKENVSIKVVXHWAE-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.29
Rot. Bonds3

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (PubChem CID 56814512) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
PubChem CID56814512
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCN(c3cnccn3)CC2)c(C)c1Cl
InChIInChI=1S/C15H19ClN6O/c1-11-15(16)12(2)22(19-11)10-14(23)21-7-5-20(6-8-21)13-9-17-3-4-18-13/h3-4,9H,5-8,10H2,1-2H3
InChIKeyKENVSIKVVXHWAE-UHFFFAOYSA-N
XLogP1.29
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 56814446
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
CID 71932928
2-(Dimethylamino)-1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethanone
CID 72024827
1-[4-[6-(3,5-Dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 72024828
1-[4-[6-(3,5-Dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 72024836
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
CID 38699385
2-{isopropyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-N-pyrazin-2-ylacetamide
CID 50966342
3-[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]pteridin-4(3H)-one
CID 124214754
2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 21071071
2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 21071077
2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-(4-pyrimidin-2-yl-piperazin-1-yl)-ethanone
CID 21071110
2-[4-Chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 70851833

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (CID 56814512) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is Cc1nn(CC(=O)N2CCN(c3cnccn3)CC2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is KENVSIKVVXHWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-11-15(16)12(2)22(19-11)10-14(23)21-7-5-20(6-8-21)13-9-17-3-4-18-13/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 334.81 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 56814512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).