2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide

C10H11N3O3 — CID 112536394

IUPAC2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
SMILESO=C(Cc1ccco1)NCc1cc(=O)[nH][nH]1
InChIInChI=1S/C10H11N3O3/c14-9(5-8-2-1-3-16-8)11-6-7-4-10(15)13-12-7/h1-4H,5-6H2,(H,11,14)(H2,12,13,15)
InChIKeyIYVBZDAANXYCSV-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.15
Rot. Bonds4

About 2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide

2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide (PubChem CID 112536394) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
PubChem CID112536394
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
SMILESO=C(Cc1ccco1)NCc1cc(=O)[nH][nH]1
InChIInChI=1S/C10H11N3O3/c14-9(5-8-2-1-3-16-8)11-6-7-4-10(15)13-12-7/h1-4H,5-6H2,(H,11,14)(H2,12,13,15)
InChIKeyIYVBZDAANXYCSV-UHFFFAOYSA-N
XLogP0.15
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
2-(furan-2-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 110690604
2-(furan-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110690605
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 70563287
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 823822
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 154858356
N-(furan-2-ylmethyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686247
N-(furan-2-ylmethyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110850493

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide (CID 112536394) is 2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide is O=C(Cc1ccco1)NCc1cc(=O)[nH][nH]1.
What is the InChIKey of 2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
The InChIKey is IYVBZDAANXYCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-9(5-8-2-1-3-16-8)11-6-7-4-10(15)13-12-7/h1-4H,5-6H2,(H,11,14)(H2,12,13,15).
What are the key properties of 2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide?
2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide has a molecular weight of 221.22 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 112536394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).