1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one

C16H17ClN4O2 — CID 70775777

IUPAC1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
SMILESCc1cc(C(=O)N2CC(=O)N(c3ccc(Cl)cc3)CC2C)n[nH]1
InChIInChI=1S/C16H17ClN4O2/c1-10-7-14(19-18-10)16(23)20-9-15(22)21(8-11(20)2)13-5-3-12(17)4-6-13/h3-7,11H,8-9H2,1-2H3,(H,18,19)
InChIKeyJTUDKHVRUNNFLX-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.25
Rot. Bonds2

About 1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one

1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one (PubChem CID 70775777) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
PubChem CID70775777
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
SMILESCc1cc(C(=O)N2CC(=O)N(c3ccc(Cl)cc3)CC2C)n[nH]1
InChIInChI=1S/C16H17ClN4O2/c1-10-7-14(19-18-10)16(23)20-9-15(22)21(8-11(20)2)13-5-3-12(17)4-6-13/h3-7,11H,8-9H2,1-2H3,(H,18,19)
InChIKeyJTUDKHVRUNNFLX-UHFFFAOYSA-N
XLogP2.25
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
CID 96582352
(5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one
CID 96578164
1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 70763084
1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one
CID 70729577
1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one
CID 70755323
(5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one
CID 96582107
3-[2-[(2R)-4-(4-chlorophenyl)-2-methyl-5-oxopiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 96579942
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 70709461
(5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one
CID 96577215
(5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96582112
5-[(2S)-2-methyl-4-(4-methylphenyl)-5-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96576291
(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one (CID 70775777) is 1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one is Cc1cc(C(=O)N2CC(=O)N(c3ccc(Cl)cc3)CC2C)n[nH]1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
The InChIKey is JTUDKHVRUNNFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-10-7-14(19-18-10)16(23)20-9-15(22)21(8-11(20)2)13-5-3-12(17)4-6-13/h3-7,11H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one has a molecular weight of 332.79 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 70775777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).