(E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide

C20H21N3O2S — CID 71797446

IUPAC(E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1cc(-c2cccs2)n(C2CCCC2)n1
InChIInChI=1S/C20H21N3O2S/c24-20(10-9-17-7-3-11-25-17)21-14-15-13-18(19-8-4-12-26-19)23(22-15)16-5-1-2-6-16/h3-4,7-13,16H,1-2,5-6,14H2,(H,21,24)/b10-9+
InChIKeyBPDRIAWYJMBPKX-MDZDMXLPSA-N
MW367.47 g/mol
LogP4.65
Rot. Bonds6

About (E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 71797446) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is (E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID71797446
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name(E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1cc(-c2cccs2)n(C2CCCC2)n1
InChIInChI=1S/C20H21N3O2S/c24-20(10-9-17-7-3-11-25-17)21-14-15-13-18(19-8-4-12-26-19)23(22-15)16-5-1-2-6-16/h3-4,7-13,16H,1-2,5-6,14H2,(H,21,24)/b10-9+
InChIKeyBPDRIAWYJMBPKX-MDZDMXLPSA-N
XLogP4.65
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.65
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide (CID 71797446) is (E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)NCc1cc(-c2cccs2)n(C2CCCC2)n1.
What is the InChIKey of (E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is BPDRIAWYJMBPKX-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-20(10-9-17-7-3-11-25-17)21-14-15-13-18(19-8-4-12-26-19)23(22-15)16-5-1-2-6-16/h3-4,7-13,16H,1-2,5-6,14H2,(H,21,24)/b10-9+.
What are the key properties of (E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 367.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 71797446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).