N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide

C18H17N3O — CID 118524377

IUPACN-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C18H17N3O/c22-18(16-9-5-2-6-10-16)19-12-14-21-13-11-17(20-21)15-7-3-1-4-8-15/h1-11,13H,12,14H2,(H,19,22)
InChIKeyLVSHXDXZBQASHP-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.98
Rot. Bonds5

About N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide

N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide (PubChem CID 118524377) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide
PubChem CID118524377
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C18H17N3O/c22-18(16-9-5-2-6-10-16)19-12-14-21-13-11-17(20-21)15-7-3-1-4-8-15/h1-11,13H,12,14H2,(H,19,22)
InChIKeyLVSHXDXZBQASHP-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide (CID 118524377) is N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide is O=C(NCCn1ccc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is LVSHXDXZBQASHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(16-9-5-2-6-10-16)19-12-14-21-13-11-17(20-21)15-7-3-1-4-8-15/h1-11,13H,12,14H2,(H,19,22).
What are the key properties of N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide?
N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 291.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 118524377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).