WEFVKGVAZKQHBE-SNAWJCMRSA-N

C₁₀H₁₁F₃N₂O₂ — CID 154617963

About WEFVKGVAZKQHBE-SNAWJCMRSA-N

WEFVKGVAZKQHBE-SNAWJCMRSA-N (PubChem CID 154617963) has the molecular formula C₁₀H₁₁F₃N₂O₂ and a molecular weight of 248.20 g/mol. Its IUPAC name is ethyl (E)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]prop-2-enoate.

Molecular Properties

• Compound Name: WEFVKGVAZKQHBE-SNAWJCMRSA-N
• PubChem CID: 154617963
• Molecular Formula: C₁₀H₁₁F₃N₂O₂
• Molecular Weight: 248.20 g/mol
• Exact Mass: 248.08
• IUPAC Name: ethyl (E)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]prop-2-enoate
• SMILES: CCOC(=O)/C=C/c1cc(C(F)(F)F)n(C)n1
• InChI: InChI=1S/C10H11F3N2O2/c1-3-17-9(16)5-4-7-6-8(10(11,12)13)15(2)14-7/h4-6H,3H2,1-2H3/b5-4+
• InChIKey: WEFVKGVAZKQHBE-SNAWJCMRSA-N
• XLogP: 2.02
• TPSA: 44.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.20
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of WEFVKGVAZKQHBE-SNAWJCMRSA-N?

The IUPAC name of WEFVKGVAZKQHBE-SNAWJCMRSA-N (CID 154617963) is ethyl (E)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]prop-2-enoate.

What is the SMILES notation for WEFVKGVAZKQHBE-SNAWJCMRSA-N?

The canonical SMILES for WEFVKGVAZKQHBE-SNAWJCMRSA-N is CCOC(=O)/C=C/c1cc(C(F)(F)F)n(C)n1.

What is the InChIKey of WEFVKGVAZKQHBE-SNAWJCMRSA-N?

The InChIKey is WEFVKGVAZKQHBE-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-3-17-9(16)5-4-7-6-8(10(11,12)13)15(2)14-7/h4-6H,3H2,1-2H3/b5-4+.

What are the key properties of WEFVKGVAZKQHBE-SNAWJCMRSA-N?

WEFVKGVAZKQHBE-SNAWJCMRSA-N has a molecular weight of 248.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for WEFVKGVAZKQHBE-SNAWJCMRSA-N is sourced from PubChem (CID 154617963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154617963 — identifiers, structure, computed properties (public domain)

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