N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide

C12H13N3O — CID 118524294

IUPACN-[2-(4-phenylpyrazol-1-yl)ethyl]formamide
SMILESO=CNCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C12H13N3O/c16-10-13-6-7-15-9-12(8-14-15)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,13,16)
InChIKeyZYTKCMZLQJMNIF-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.30
Rot. Bonds5

About N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide

N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide (PubChem CID 118524294) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(4-phenylpyrazol-1-yl)ethyl]formamide
PubChem CID118524294
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[2-(4-phenylpyrazol-1-yl)ethyl]formamide
SMILESO=CNCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C12H13N3O/c16-10-13-6-7-15-9-12(8-14-15)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,13,16)
InChIKeyZYTKCMZLQJMNIF-UHFFFAOYSA-N
XLogP1.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide?
The IUPAC name of N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide (CID 118524294) is N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide?
The canonical SMILES for N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide is O=CNCCn1cc(-c2ccccc2)cn1.
What is the InChIKey of N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide?
The InChIKey is ZYTKCMZLQJMNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-10-13-6-7-15-9-12(8-14-15)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,13,16).
What are the key properties of N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide?
N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide has a molecular weight of 215.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide is sourced from PubChem (CID 118524294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).