2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide

C15H16F3N3O2 — CID 71808016

IUPAC2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3O2/c1-11(23-12-5-3-2-4-6-12)14(22)19-8-10-21-9-7-13(20-21)15(16,17)18/h2-7,9,11H,8,10H2,1H3,(H,19,22)
InChIKeyNYZRZQOCAOGINO-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.49
Rot. Bonds6

About 2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide

2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide (PubChem CID 71808016) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
PubChem CID71808016
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3O2/c1-11(23-12-5-3-2-4-6-12)14(22)19-8-10-21-9-7-13(20-21)15(16,17)18/h2-7,9,11H,8,10H2,1H3,(H,19,22)
InChIKeyNYZRZQOCAOGINO-UHFFFAOYSA-N
XLogP2.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
The IUPAC name of 2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide (CID 71808016) is 2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide is CC(Oc1ccccc1)C(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
The InChIKey is NYZRZQOCAOGINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-11(23-12-5-3-2-4-6-12)14(22)19-8-10-21-9-7-13(20-21)15(16,17)18/h2-7,9,11H,8,10H2,1H3,(H,19,22).
What are the key properties of 2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide?
2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide has a molecular weight of 327.31 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide is sourced from PubChem (CID 71808016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).