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

C15H19ClN6O — CID 56814446

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCN(c3ncccn3)CC2)c(C)c1Cl
InChIInChI=1S/C15H19ClN6O/c1-11-14(16)12(2)22(19-11)10-13(23)20-6-8-21(9-7-20)15-17-4-3-5-18-15/h3-5H,6-10H2,1-2H3
InChIKeyADVDDFLSSRRRKG-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.29
Rot. Bonds3

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

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 56814446) 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-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID56814446
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCN(c3ncccn3)CC2)c(C)c1Cl
InChIInChI=1S/C15H19ClN6O/c1-11-14(16)12(2)22(19-11)10-13(23)20-6-8-21(9-7-20)15-17-4-3-5-18-15/h3-5H,6-10H2,1-2H3
InChIKeyADVDDFLSSRRRKG-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 56814446) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is Cc1nn(CC(=O)N2CCN(c3ncccn3)CC2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is ADVDDFLSSRRRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-11-14(16)12(2)22(19-11)10-13(23)20-6-8-21(9-7-20)15-17-4-3-5-18-15/h3-5H,6-10H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-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-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 56814446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).