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

C15H24N4O2 — CID 64902542

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)(C)C(=O)N1Cc1cnn(CC)c1
InChIInChI=1S/C15H24N4O2/c1-5-7-12-13(20)17-15(3,4)14(21)19(12)10-11-8-16-18(6-2)9-11/h8-9,12H,5-7,10H2,1-4H3,(H,17,20)
InChIKeyGSWNTYGZMARVAE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.31
Rot. Bonds5

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

1-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione (PubChem CID 64902542) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione
PubChem CID64902542
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)(C)C(=O)N1Cc1cnn(CC)c1
InChIInChI=1S/C15H24N4O2/c1-5-7-12-13(20)17-15(3,4)14(21)19(12)10-11-8-16-18(6-2)9-11/h8-9,12H,5-7,10H2,1-4H3,(H,17,20)
InChIKeyGSWNTYGZMARVAE-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione
CID 64873419
1-[(5-bromo-3-pyridinyl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione
CID 104812714
1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64872564
8-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887032
3-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64903566
1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64961125
3,3-dimethyl-6-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64901967
1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 12032341
6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione
CID 64969999
6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione
CID 81174229
1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
CID 64873808
6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966445

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione (CID 64902542) is 1-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C)(C)C(=O)N1Cc1cnn(CC)c1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione?
The InChIKey is GSWNTYGZMARVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-7-12-13(20)17-15(3,4)14(21)19(12)10-11-8-16-18(6-2)9-11/h8-9,12H,5-7,10H2,1-4H3,(H,17,20).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione?
1-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethyl-6-propylpiperazine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 1.31, 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]-3,3-dimethyl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64902542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).