N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide

C23H28ClN5O2 — CID 52989524

IUPACN-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)N1CCN(C(=O)C2CC(c3cccc(Cl)c3)NN2)CC1
InChIInChI=1S/C23H28ClN5O2/c1-27(16-17-6-3-2-4-7-17)23(31)29-12-10-28(11-13-29)22(30)21-15-20(25-26-21)18-8-5-9-19(24)14-18/h2-9,14,20-21,25-26H,10-13,15-16H2,1H3
InChIKeyRIOOFHSTFNXPKN-UHFFFAOYSA-N
MW441.96 g/mol
LogP2.64
Rot. Bonds4

About N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide

N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide (PubChem CID 52989524) has the molecular formula C23H28ClN5O2 and a molecular weight of 441.96 g/mol. Its IUPAC name is N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide
PubChem CID52989524
Molecular FormulaC23H28ClN5O2
Molecular Weight441.96 g/mol
Exact Mass441.19
IUPAC NameN-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)N1CCN(C(=O)C2CC(c3cccc(Cl)c3)NN2)CC1
InChIInChI=1S/C23H28ClN5O2/c1-27(16-17-6-3-2-4-7-17)23(31)29-12-10-28(11-13-29)22(30)21-15-20(25-26-21)18-8-5-9-19(24)14-18/h2-9,14,20-21,25-26H,10-13,15-16H2,1H3
InChIKeyRIOOFHSTFNXPKN-UHFFFAOYSA-N
XLogP2.64
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 75194487
[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 75255128
[5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 75138331
N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide
CID 75270685
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487434
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]-2-methoxybenzamide
CID 75270681
[4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
CID 52987319
4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 74629892
[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 75194160

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide (CID 52989524) is N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide is CN(Cc1ccccc1)C(=O)N1CCN(C(=O)C2CC(c3cccc(Cl)c3)NN2)CC1.
What is the InChIKey of N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide?
The InChIKey is RIOOFHSTFNXPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O2/c1-27(16-17-6-3-2-4-7-17)23(31)29-12-10-28(11-13-29)22(30)21-15-20(25-26-21)18-8-5-9-19(24)14-18/h2-9,14,20-21,25-26H,10-13,15-16H2,1H3.
What are the key properties of N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide?
N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide has a molecular weight of 441.96 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 52989524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).