(E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide

C16H15N3O2S — CID 71797297

IUPAC(E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCn1nc(CNC(=O)/C=C/c2cccs2)cc1-c1ccco1
InChIInChI=1S/C16H15N3O2S/c1-19-14(15-5-2-8-21-15)10-12(18-19)11-17-16(20)7-6-13-4-3-9-22-13/h2-10H,11H2,1H3,(H,17,20)/b7-6+
InChIKeyLJTSIGWMALEJNB-VOTSOKGWSA-N
MW313.38 g/mol
LogP3.07
Rot. Bonds5

About (E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 71797297) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is (E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID71797297
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name(E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCn1nc(CNC(=O)/C=C/c2cccs2)cc1-c1ccco1
InChIInChI=1S/C16H15N3O2S/c1-19-14(15-5-2-8-21-15)10-12(18-19)11-17-16(20)7-6-13-4-3-9-22-13/h2-10H,11H2,1H3,(H,17,20)/b7-6+
InChIKeyLJTSIGWMALEJNB-VOTSOKGWSA-N
XLogP3.07
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.07
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

(E)-3-(2-chlorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide
CID 71797314
(E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 121196988
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]pyridine-3-carboxamide
CID 71797285
3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide
CID 71797298
2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide
CID 71797311
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71797295
N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 103598251
(E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 9080643
(E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 122244395
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine
CID 95732772
N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 4165696
N-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 171140268

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide (CID 71797297) is (E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide is Cn1nc(CNC(=O)/C=C/c2cccs2)cc1-c1ccco1.
What is the InChIKey of (E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is LJTSIGWMALEJNB-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-19-14(15-5-2-8-21-15)10-12(18-19)11-17-16(20)7-6-13-4-3-9-22-13/h2-10H,11H2,1H3,(H,17,20)/b7-6+.
What are the key properties of (E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 313.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 71797297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).