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

C17H17N3O2 — CID 6620408

IUPACN-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
SMILESCc1cc(-c2ccco2)n(CC(=O)NCc2ccccc2)n1
InChIInChI=1S/C17H17N3O2/c1-13-10-15(16-8-5-9-22-16)20(19-13)12-17(21)18-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,18,21)
InChIKeyYEZGFUBROKMHAV-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.77
Rot. Bonds5

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

N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide (PubChem CID 6620408) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
PubChem CID6620408
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
SMILESCc1cc(-c2ccco2)n(CC(=O)NCc2ccccc2)n1
InChIInChI=1S/C17H17N3O2/c1-13-10-15(16-8-5-9-22-16)20(19-13)12-17(21)18-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,18,21)
InChIKeyYEZGFUBROKMHAV-UHFFFAOYSA-N
XLogP2.77
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide (CID 6620408) is N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide is Cc1cc(-c2ccco2)n(CC(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide?
The InChIKey is YEZGFUBROKMHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-13-10-15(16-8-5-9-22-16)20(19-13)12-17(21)18-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,18,21).
What are the key properties of N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide?
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide has a molecular weight of 295.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 6620408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).