4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide

C16H19N5O3S — CID 126852795

IUPAC4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCC(c2ccsc2)n2cccn2)C(=O)C1=O
InChIInChI=1S/C16H19N5O3S/c1-2-19-7-8-20(15(23)14(19)22)16(24)17-10-13(12-4-9-25-11-12)21-6-3-5-18-21/h3-6,9,11,13H,2,7-8,10H2,1H3,(H,17,24)
InChIKeyGCHWYFUBAZXZGT-UHFFFAOYSA-N
MW361.43 g/mol
LogP0.93
Rot. Bonds5

About 4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide

4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide (PubChem CID 126852795) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide
PubChem CID126852795
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCC(c2ccsc2)n2cccn2)C(=O)C1=O
InChIInChI=1S/C16H19N5O3S/c1-2-19-7-8-20(15(23)14(19)22)16(24)17-10-13(12-4-9-25-11-12)21-6-3-5-18-21/h3-6,9,11,13H,2,7-8,10H2,1H3,(H,17,24)
InChIKeyGCHWYFUBAZXZGT-UHFFFAOYSA-N
XLogP0.93
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
CID 122161450
2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
CID 122244459
2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide
CID 119102036
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide
CID 126852802
3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide
CID 122161477
N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 122161523
2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 122161499
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide
CID 94021120
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetate
CID 7157273
2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931597
5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 122161506

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide (CID 126852795) is 4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide is CCN1CCN(C(=O)NCC(c2ccsc2)n2cccn2)C(=O)C1=O.
What is the InChIKey of 4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide?
The InChIKey is GCHWYFUBAZXZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-2-19-7-8-20(15(23)14(19)22)16(24)17-10-13(12-4-9-25-11-12)21-6-3-5-18-21/h3-6,9,11,13H,2,7-8,10H2,1H3,(H,17,24).
What are the key properties of 4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide?
4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 126852795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).