N-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide

C17H17N3O2 — CID 42897473

IUPACN-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC(NC(=O)c1ccc(Cn2cccn2)cc1)c1ccco1
InChIInChI=1S/C17H17N3O2/c1-13(16-4-2-11-22-16)19-17(21)15-7-5-14(6-8-15)12-20-10-3-9-18-20/h2-11,13H,12H2,1H3,(H,19,21)
InChIKeyPWOUOXQKZPTZOY-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.02
Rot. Bonds5

About N-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide

N-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 42897473) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID42897473
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC(NC(=O)c1ccc(Cn2cccn2)cc1)c1ccco1
InChIInChI=1S/C17H17N3O2/c1-13(16-4-2-11-22-16)19-17(21)15-7-5-14(6-8-15)12-20-10-3-9-18-20/h2-11,13H,12H2,1H3,(H,19,21)
InChIKeyPWOUOXQKZPTZOY-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide (CID 42897473) is N-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide is CC(NC(=O)c1ccc(Cn2cccn2)cc1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is PWOUOXQKZPTZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-13(16-4-2-11-22-16)19-17(21)15-7-5-14(6-8-15)12-20-10-3-9-18-20/h2-11,13H,12H2,1H3,(H,19,21).
What are the key properties of N-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 295.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 42897473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).