2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

C19H19ClN6O — CID 122337187

IUPAC2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C19H19ClN6O/c20-16-5-2-1-4-15(16)12-19(27)25-10-8-24(9-11-25)17-13-18(22-14-21-17)26-7-3-6-23-26/h1-7,13-14H,8-12H2
InChIKeyCQYHMPRDXJUBQA-UHFFFAOYSA-N
MW382.86 g/mol
LogP2.21
Rot. Bonds4

About 2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 122337187) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID122337187
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C19H19ClN6O/c20-16-5-2-1-4-15(16)12-19(27)25-10-8-24(9-11-25)17-13-18(22-14-21-17)26-7-3-6-23-26/h1-7,13-14H,8-12H2
InChIKeyCQYHMPRDXJUBQA-UHFFFAOYSA-N
XLogP2.21
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 122337316
2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 133464156
2-(3-methylphenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122337223
2-(2-chlorophenyl)-1-[4-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 133299005
(4-chlorophenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700276
2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 121086865
2-(2-chlorophenyl)-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122341006
(4-bromophenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699707
2-(2-chlorophenyl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56528341
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
(2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337339
(2-methoxyphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700331

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 122337187) is 2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCN(c2cc(-n3cccn3)ncn2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is CQYHMPRDXJUBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c20-16-5-2-1-4-15(16)12-19(27)25-10-8-24(9-11-25)17-13-18(22-14-21-17)26-7-3-6-23-26/h1-7,13-14H,8-12H2.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 382.86 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 122337187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).