1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

C18H29N5O2 — CID 39461796

IUPAC1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C18H29N5O2/c1-14-16(15(2)20(3)19-14)12-17(24)23-10-8-21(9-11-23)13-18(25)22-6-4-5-7-22/h4-13H2,1-3H3
InChIKeyHBJZKALNRBWASR-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.35
Rot. Bonds4

About 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 39461796) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID39461796
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C18H29N5O2/c1-14-16(15(2)20(3)19-14)12-17(24)23-10-8-21(9-11-23)13-18(25)22-6-4-5-7-22/h4-13H2,1-3H3
InChIKeyHBJZKALNRBWASR-UHFFFAOYSA-N
XLogP0.35
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 39461796) is 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1nn(C)c(C)c1CC(=O)N1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is HBJZKALNRBWASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14-16(15(2)20(3)19-14)12-17(24)23-10-8-21(9-11-23)13-18(25)22-6-4-5-7-22/h4-13H2,1-3H3.
What are the key properties of 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 347.46 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 39461796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).