N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide

C17H28N6O2 — CID 36801870

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)n(C)n1
InChIInChI=1S/C17H28N6O2/c1-14-11-15(20(2)19-14)18-16(24)12-21-7-9-22(10-8-21)13-17(25)23-5-3-4-6-23/h11H,3-10,12-13H2,1-2H3,(H,18,24)
InChIKeySKHICZDWLSJDES-UHFFFAOYSA-N
MW348.45 g/mol
LogP-0.09
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide (PubChem CID 36801870) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
PubChem CID36801870
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)n(C)n1
InChIInChI=1S/C17H28N6O2/c1-14-11-15(20(2)19-14)18-16(24)12-21-7-9-22(10-8-21)13-17(25)23-5-3-4-6-23/h11H,3-10,12-13H2,1-2H3,(H,18,24)
InChIKeySKHICZDWLSJDES-UHFFFAOYSA-N
XLogP-0.09
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36800103
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 18292422
ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 36800258
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 169215788
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30739058
2-(4-aminopiperidin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 79332492
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 36800668
N-(2,5-dimethylpyrazol-3-yl)-2-(1,4-thiazepan-4-yl)acetamide
CID 84591849
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 32660135
N-(2,5-dimethylpyrazol-3-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 33019725
ethyl 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 36800218

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide (CID 36801870) is N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide?
The InChIKey is SKHICZDWLSJDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-14-11-15(20(2)19-14)18-16(24)12-21-7-9-22(10-8-21)13-17(25)23-5-3-4-6-23/h11H,3-10,12-13H2,1-2H3,(H,18,24).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 36801870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).