N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide

C18H24ClN5O3S — CID 17024269

IUPACN-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
SMILESCCS(=O)(=O)N1CCN(CC(=O)Nc2nn(Cc3ccccc3)cc2Cl)CC1
InChIInChI=1S/C18H24ClN5O3S/c1-2-28(26,27)24-10-8-22(9-11-24)14-17(25)20-18-16(19)13-23(21-18)12-15-6-4-3-5-7-15/h3-7,13H,2,8-12,14H2,1H3,(H,20,21,25)
InChIKeyGZBCMQDCXUDGNI-UHFFFAOYSA-N
MW425.94 g/mol
LogP1.49
Rot. Bonds7

About N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide

N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide (PubChem CID 17024269) has the molecular formula C18H24ClN5O3S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
PubChem CID17024269
Molecular FormulaC18H24ClN5O3S
Molecular Weight425.94 g/mol
Exact Mass425.13
IUPAC NameN-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
SMILESCCS(=O)(=O)N1CCN(CC(=O)Nc2nn(Cc3ccccc3)cc2Cl)CC1
InChIInChI=1S/C18H24ClN5O3S/c1-2-28(26,27)24-10-8-22(9-11-24)14-17(25)20-18-16(19)13-23(21-18)12-15-6-4-3-5-7-15/h3-7,13H,2,8-12,14H2,1H3,(H,20,21,25)
InChIKeyGZBCMQDCXUDGNI-UHFFFAOYSA-N
XLogP1.49
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide (CID 17024269) is N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide is CCS(=O)(=O)N1CCN(CC(=O)Nc2nn(Cc3ccccc3)cc2Cl)CC1.
What is the InChIKey of N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is GZBCMQDCXUDGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O3S/c1-2-28(26,27)24-10-8-22(9-11-24)14-17(25)20-18-16(19)13-23(21-18)12-15-6-4-3-5-7-15/h3-7,13H,2,8-12,14H2,1H3,(H,20,21,25).
What are the key properties of N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide?
N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 425.94 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-ethylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 17024269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).