2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide

C15H13F4N3O — CID 4766250

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccccc1F
InChIInChI=1S/C15H13F4N3O/c16-10-3-1-2-4-11(10)20-14(23)8-22-12(9-5-6-9)7-13(21-22)15(17,18)19/h1-4,7,9H,5-6,8H2,(H,20,23)
InChIKeyZZGFGJTYPAKNHP-UHFFFAOYSA-N
MW327.28 g/mol
LogP3.56
Rot. Bonds4

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 4766250) has the molecular formula C15H13F4N3O and a molecular weight of 327.28 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID4766250
Molecular FormulaC15H13F4N3O
Molecular Weight327.28 g/mol
Exact Mass327.10
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccccc1F
InChIInChI=1S/C15H13F4N3O/c16-10-3-1-2-4-11(10)20-14(23)8-22-12(9-5-6-9)7-13(21-22)15(17,18)19/h1-4,7,9H,5-6,8H2,(H,20,23)
InChIKeyZZGFGJTYPAKNHP-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide (CID 4766250) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccccc1F.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is ZZGFGJTYPAKNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N3O/c16-10-3-1-2-4-11(10)20-14(23)8-22-12(9-5-6-9)7-13(21-22)15(17,18)19/h1-4,7,9H,5-6,8H2,(H,20,23).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 327.28 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 4766250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).