1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione

C15H24N4O2 — CID 64872564

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCCn1cc(CN2C(=O)C(C)NC(=O)C2CC(C)C)cn1
InChIInChI=1S/C15H24N4O2/c1-5-18-8-12(7-16-18)9-19-13(6-10(2)3)14(20)17-11(4)15(19)21/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyOTKADYNWCQKBOG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.16
Rot. Bonds5

About 1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione

1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64872564) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64872564
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCCn1cc(CN2C(=O)C(C)NC(=O)C2CC(C)C)cn1
InChIInChI=1S/C15H24N4O2/c1-5-18-8-12(7-16-18)9-19-13(6-10(2)3)14(20)17-11(4)15(19)21/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyOTKADYNWCQKBOG-UHFFFAOYSA-N
XLogP1.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 69244378
3-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64903566
6-ethyl-1-(1-ethylpyrazol-4-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64961135
1-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione
CID 64902542
1-[(3-bromothiophen-2-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64874137
6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64875272
1-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 64848565
1-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64872364
3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 114532459
3-methyl-6-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519220
1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 105410252
3-methyl-6-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627625

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione (CID 64872564) is 1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione is CCn1cc(CN2C(=O)C(C)NC(=O)C2CC(C)C)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is OTKADYNWCQKBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-18-8-12(7-16-18)9-19-13(6-10(2)3)14(20)17-11(4)15(19)21/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,17,20).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione?
1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64872564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).