N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide

C15H15N3O3 — CID 5307834

IUPACN-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
SMILESCc1cc(-c2ccco2)n(CC(=O)NCc2ccco2)n1
InChIInChI=1S/C15H15N3O3/c1-11-8-13(14-5-3-7-21-14)18(17-11)10-15(19)16-9-12-4-2-6-20-12/h2-8H,9-10H2,1H3,(H,16,19)
InChIKeyOQXQNMLWXANSGB-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.36
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide (PubChem CID 5307834) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
PubChem CID5307834
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
SMILESCc1cc(-c2ccco2)n(CC(=O)NCc2ccco2)n1
InChIInChI=1S/C15H15N3O3/c1-11-8-13(14-5-3-7-21-14)18(17-11)10-15(19)16-9-12-4-2-6-20-12/h2-8H,9-10H2,1H3,(H,16,19)
InChIKeyOQXQNMLWXANSGB-UHFFFAOYSA-N
XLogP2.36
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide (CID 5307834) is N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide is Cc1cc(-c2ccco2)n(CC(=O)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide?
The InChIKey is OQXQNMLWXANSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-11-8-13(14-5-3-7-21-14)18(17-11)10-15(19)16-9-12-4-2-6-20-12/h2-8H,9-10H2,1H3,(H,16,19).
What are the key properties of N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide has a molecular weight of 285.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 5307834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).