N-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H14F3N3O — CID 8839359

IUPACN-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O/c1-2-10-5-3-4-6-11(10)18-13(21)9-20-8-7-12(19-20)14(15,16)17/h3-8H,2,9H2,1H3,(H,18,21)
InChIKeyVQCUEFYAKQVDQD-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.10
Rot. Bonds4

About N-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 8839359) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID8839359
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O/c1-2-10-5-3-4-6-11(10)18-13(21)9-20-8-7-12(19-20)14(15,16)17/h3-8H,2,9H2,1H3,(H,18,21)
InChIKeyVQCUEFYAKQVDQD-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 8839359) is N-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCc1ccccc1NC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is VQCUEFYAKQVDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-2-10-5-3-4-6-11(10)18-13(21)9-20-8-7-12(19-20)14(15,16)17/h3-8H,2,9H2,1H3,(H,18,21).
What are the key properties of N-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 297.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 8839359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).