1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one

C18H25ClN4O2 — CID 134063969

IUPAC1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one
SMILESCC(C)C1CC(C(=O)N2CC(=O)N(c3cccc(Cl)c3)CC2C)NN1
InChIInChI=1S/C18H25ClN4O2/c1-11(2)15-8-16(21-20-15)18(25)22-10-17(24)23(9-12(22)3)14-6-4-5-13(19)7-14/h4-7,11-12,15-16,20-21H,8-10H2,1-3H3
InChIKeyPQNFRZCGUYECQP-UHFFFAOYSA-N
MW364.88 g/mol
LogP1.79
Rot. Bonds3

About 1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one

1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one (PubChem CID 134063969) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one
PubChem CID134063969
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one
SMILESCC(C)C1CC(C(=O)N2CC(=O)N(c3cccc(Cl)c3)CC2C)NN1
InChIInChI=1S/C18H25ClN4O2/c1-11(2)15-8-16(21-20-15)18(25)22-10-17(24)23(9-12(22)3)14-6-4-5-13(19)7-14/h4-7,11-12,15-16,20-21H,8-10H2,1-3H3
InChIKeyPQNFRZCGUYECQP-UHFFFAOYSA-N
XLogP1.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 4-(3-chlorophenyl)-5-oxo-2-(sulfanylmethyl)piperazine-1-carboxylate
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(5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one
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2-[4-(3-chlorophenyl)-2-methyl-5-oxopiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
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1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one (CID 134063969) is 1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one is CC(C)C1CC(C(=O)N2CC(=O)N(c3cccc(Cl)c3)CC2C)NN1.
What is the InChIKey of 1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one?
The InChIKey is PQNFRZCGUYECQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-11(2)15-8-16(21-20-15)18(25)22-10-17(24)23(9-12(22)3)14-6-4-5-13(19)7-14/h4-7,11-12,15-16,20-21H,8-10H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one?
1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one has a molecular weight of 364.88 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 134063969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).