N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide

C17H19N3O2 — CID 154880629

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide
SMILESC=CC(=O)N(Cc1ccc2c(c1)CCO2)c1cnn(CC)c1
InChIInChI=1S/C17H19N3O2/c1-3-17(21)20(15-10-18-19(4-2)12-15)11-13-5-6-16-14(9-13)7-8-22-16/h3,5-6,9-10,12H,1,4,7-8,11H2,2H3
InChIKeyXHGWLZVCLNNSQG-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.56
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide (PubChem CID 154880629) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide
PubChem CID154880629
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide
SMILESC=CC(=O)N(Cc1ccc2c(c1)CCO2)c1cnn(CC)c1
InChIInChI=1S/C17H19N3O2/c1-3-17(21)20(15-10-18-19(4-2)12-15)11-13-5-6-16-14(9-13)7-8-22-16/h3,5-6,9-10,12H,1,4,7-8,11H2,2H3
InChIKeyXHGWLZVCLNNSQG-UHFFFAOYSA-N
XLogP2.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine
CID 43804263
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 56818085
N-(1-ethylpyrazol-4-yl)-4-[methyl(prop-2-enoyl)amino]-N-(2-methylpropyl)benzamide
CID 166414015
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822325
2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
CID 115151665
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
2-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanoic acid
CID 65067942
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 115163484

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide (CID 154880629) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide is C=CC(=O)N(Cc1ccc2c(c1)CCO2)c1cnn(CC)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is XHGWLZVCLNNSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-17(21)20(15-10-18-19(4-2)12-15)11-13-5-6-16-14(9-13)7-8-22-16/h3,5-6,9-10,12H,1,4,7-8,11H2,2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 297.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 154880629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).