(E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide

C18H19N3O2S — CID 122244395

IUPAC(E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1cc(C)n(C(CNC(=O)/C=C/c2cccs2)c2ccco2)n1
InChIInChI=1S/C18H19N3O2S/c1-13-11-14(2)21(20-13)16(17-6-3-9-23-17)12-19-18(22)8-7-15-5-4-10-24-15/h3-11,16H,12H2,1-2H3,(H,19,22)/b8-7+
InChIKeySIEZNAVPKZOGEB-BQYQJAHWSA-N
MW341.44 g/mol
LogP3.57
Rot. Bonds6

About (E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 122244395) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID122244395
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1cc(C)n(C(CNC(=O)/C=C/c2cccs2)c2ccco2)n1
InChIInChI=1S/C18H19N3O2S/c1-13-11-14(2)21(20-13)16(17-6-3-9-23-17)12-19-18(22)8-7-15-5-4-10-24-15/h3-11,16H,12H2,1-2H3,(H,19,22)/b8-7+
InChIKeySIEZNAVPKZOGEB-BQYQJAHWSA-N
XLogP3.57
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 122244431
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]prop-2-enamide
CID 122265611
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]furan-2-carboxamide
CID 122244387
N'-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-N-prop-2-enyloxamide
CID 122265812
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxyacetamide
CID 122265475
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122265668
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 122265497
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 122265553
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]prop-2-enamide
CID 122264692
(E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 122264693
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 122244394
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 122244396

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide (CID 122244395) is (E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide is Cc1cc(C)n(C(CNC(=O)/C=C/c2cccs2)c2ccco2)n1.
What is the InChIKey of (E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is SIEZNAVPKZOGEB-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-11-14(2)21(20-13)16(17-6-3-9-23-17)12-19-18(22)8-7-15-5-4-10-24-15/h3-11,16H,12H2,1-2H3,(H,19,22)/b8-7+.
What are the key properties of (E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 341.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 122244395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).