2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide

C17H14ClN3O — CID 2369606

IUPAC2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESO=C(CCl)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H14ClN3O/c18-12-17(22)19-16-11-15(13-7-3-1-4-8-13)20-21(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,22)
InChIKeyGJSOCNYKVHSXCX-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.72
Rot. Bonds4

About 2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide

2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide (PubChem CID 2369606) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide
PubChem CID2369606
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESO=C(CCl)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H14ClN3O/c18-12-17(22)19-16-11-15(13-7-3-1-4-8-13)20-21(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,22)
InChIKeyGJSOCNYKVHSXCX-UHFFFAOYSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide (CID 2369606) is 2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide is O=C(CCl)Nc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The InChIKey is GJSOCNYKVHSXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-12-17(22)19-16-11-15(13-7-3-1-4-8-13)20-21(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,22).
What are the key properties of 2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide?
2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide has a molecular weight of 311.77 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-diphenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 2369606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).