N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide

C17H21N5O2 — CID 71976492

IUPACN-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1
InChIInChI=1S/C17H21N5O2/c1-3-13-5-4-6-14(9-13)19-17(24)21-7-8-22(16(23)12-21)15-10-18-20(2)11-15/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,19,24)
InChIKeyGAKPDJYQEDAENR-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.86
Rot. Bonds3

About N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide

N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 71976492) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
PubChem CID71976492
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1
InChIInChI=1S/C17H21N5O2/c1-3-13-5-4-6-14(9-13)19-17(24)21-7-8-22(16(23)12-21)15-10-18-20(2)11-15/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,19,24)
InChIKeyGAKPDJYQEDAENR-UHFFFAOYSA-N
XLogP1.86
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 71924052
N-(3-fluorophenyl)-2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]acetamide
CID 109435541
3-[[[ethylamino-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]methylidene]amino]methyl]benzamide;hydroiodide
CID 109435800
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
N-ethyl-N'-[2-(3-methylphenyl)ethyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109435240
N-[(3-methoxyphenyl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109434491
(9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98743883
N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 75408355
N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109432590
N-ethyl-N'-[3-(3-fluorophenyl)propyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109434056
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-propylpiperazine-1-carboximidamide
CID 109433357
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide (CID 71976492) is N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide is CCc1cccc(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is GAKPDJYQEDAENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-13-5-4-6-14(9-13)19-17(24)21-7-8-22(16(23)12-21)15-10-18-20(2)11-15/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,19,24).
What are the key properties of N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide?
N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 71976492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).