1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one

C17H19ClN4O2 — CID 70709682

IUPAC1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one
SMILESCc1ccnn1CC(=O)N1CC(=O)N(c2cccc(Cl)c2)CC1C
InChIInChI=1S/C17H19ClN4O2/c1-12-6-7-19-22(12)11-17(24)20-10-16(23)21(9-13(20)2)15-5-3-4-14(18)8-15/h3-8,13H,9-11H2,1-2H3
InChIKeySVSJPWKHBPOVAY-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.11
Rot. Bonds3

About 1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one

1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one (PubChem CID 70709682) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one
PubChem CID70709682
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one
SMILESCc1ccnn1CC(=O)N1CC(=O)N(c2cccc(Cl)c2)CC1C
InChIInChI=1S/C17H19ClN4O2/c1-12-6-7-19-22(12)11-17(24)20-10-16(23)21(9-13(20)2)15-5-3-4-14(18)8-15/h3-8,13H,9-11H2,1-2H3
InChIKeySVSJPWKHBPOVAY-UHFFFAOYSA-N
XLogP2.11
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one
CID 96576956
3-[2-[(2R)-4-(4-chlorophenyl)-2-methyl-5-oxopiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 96579942
2-[4-(3-chlorophenyl)-2-methyl-5-oxopiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 70719179
(5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one
CID 96577739
4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 70766347
4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 70779297
(5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one
CID 96577675
1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one
CID 134063969
1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one
CID 70719490
(5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one
CID 96574429
(5S)-4-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96575295
(5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96572357

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one (CID 70709682) is 1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one is Cc1ccnn1CC(=O)N1CC(=O)N(c2cccc(Cl)c2)CC1C.
What is the InChIKey of 1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one?
The InChIKey is SVSJPWKHBPOVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-12-6-7-19-22(12)11-17(24)20-10-16(23)21(9-13(20)2)15-5-3-4-14(18)8-15/h3-8,13H,9-11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one?
1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one has a molecular weight of 346.82 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 70709682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).