3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one

C19H24N4O2 — CID 74241317

IUPAC3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
SMILESCc1nn(CC(=O)N2CCNC(=O)C2Cc2ccccc2)c(C)c1C
InChIInChI=1S/C19H24N4O2/c1-13-14(2)21-23(15(13)3)12-18(24)22-10-9-20-19(25)17(22)11-16-7-5-4-6-8-16/h4-8,17H,9-12H2,1-3H3,(H,20,25)
InChIKeyNYNCOUVGUBWXIJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.38
Rot. Bonds4

About 3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one

3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one (PubChem CID 74241317) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
PubChem CID74241317
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
SMILESCc1nn(CC(=O)N2CCNC(=O)C2Cc2ccccc2)c(C)c1C
InChIInChI=1S/C19H24N4O2/c1-13-14(2)21-23(15(13)3)12-18(24)22-10-9-20-19(25)17(22)11-16-7-5-4-6-8-16/h4-8,17H,9-12H2,1-3H3,(H,20,25)
InChIKeyNYNCOUVGUBWXIJ-UHFFFAOYSA-N
XLogP1.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-methylphenyl)phenyl]methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
CID 155983007
3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
CID 45232095
2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 74240827
2-(2-benzyl-3-oxopiperazin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
CID 50956096
(3S)-1-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
CID 124949396
(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 99928818
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405
3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
CID 45195008
3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 45238924
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
(2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
CID 95717599
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
CID 29182015

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one?
The IUPAC name of 3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one (CID 74241317) is 3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one?
The canonical SMILES for 3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one is Cc1nn(CC(=O)N2CCNC(=O)C2Cc2ccccc2)c(C)c1C.
What is the InChIKey of 3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one?
The InChIKey is NYNCOUVGUBWXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-14(2)21-23(15(13)3)12-18(24)22-10-9-20-19(25)17(22)11-16-7-5-4-6-8-16/h4-8,17H,9-12H2,1-3H3,(H,20,25).
What are the key properties of 3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one?
3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one has a molecular weight of 340.43 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 74241317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).