4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide

C₁₂H₁₁ClFN₃O — CID 51078622

About 4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide

4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide (PubChem CID 51078622) has the molecular formula C₁₂H₁₁ClFN₃O and a molecular weight of 267.69 g/mol. Its IUPAC name is 4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide.

Molecular Properties

• Compound Name: 4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide
• PubChem CID: 51078622
• Molecular Formula: C₁₂H₁₁ClFN₃O
• Molecular Weight: 267.69 g/mol
• Exact Mass: 267.06
• IUPAC Name: 4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide
• SMILES: CCn1cc(NC(=O)c2ccc(Cl)cc2F)cn1
• InChI: InChI=1S/C12H11ClFN3O/c1-2-17-7-9(6-15-17)16-12(18)10-4-3-8(13)5-11(10)14/h3-7H,2H2,1H3,(H,16,18)
• InChIKey: QWVXSBMLMTWDAZ-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.69
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide?

The IUPAC name of 4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide (CID 51078622) is 4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide.

What is the SMILES notation for 4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide?

The canonical SMILES for 4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide is CCn1cc(NC(=O)c2ccc(Cl)cc2F)cn1.

What is the InChIKey of 4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide?

The InChIKey is QWVXSBMLMTWDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-2-17-7-9(6-15-17)16-12(18)10-4-3-8(13)5-11(10)14/h3-7H,2H2,1H3,(H,16,18).

What are the key properties of 4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide?

4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide has a molecular weight of 267.69 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(1-ethylpyrazol-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 51078622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 51078622 — identifiers, structure, computed properties (public domain)

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