2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone

C15H15F3N4O2 — CID 91625451

IUPAC2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)11-2-5-19-13(8-11)24-12-3-7-21(9-12)14(23)10-22-6-1-4-20-22/h1-2,4-6,8,12H,3,7,9-10H2
InChIKeyRDHWDLQBENFWLI-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.98
Rot. Bonds4

About 2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone

2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone (PubChem CID 91625451) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
PubChem CID91625451
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)11-2-5-19-13(8-11)24-12-3-7-21(9-12)14(23)10-22-6-1-4-20-22/h1-2,4-6,8,12H,3,7,9-10H2
InChIKeyRDHWDLQBENFWLI-UHFFFAOYSA-N
XLogP1.98
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone (CID 91625451) is 2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone is O=C(Cn1cccn1)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of 2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone?
The InChIKey is RDHWDLQBENFWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)11-2-5-19-13(8-11)24-12-3-7-21(9-12)14(23)10-22-6-1-4-20-22/h1-2,4-6,8,12H,3,7,9-10H2.
What are the key properties of 2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone?
2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone has a molecular weight of 340.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91625451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).