(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

C19H20F3N3O2 — CID 86787087

IUPAC(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCC1c2ccccc2OC1C(=O)N1CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C19H20F3N3O2/c1-12-14-6-2-3-7-15(14)27-17(12)18(26)24-9-4-5-13(11-24)25-10-8-16(23-25)19(20,21)22/h2-3,6-8,10,12-13,17H,4-5,9,11H2,1H3
InChIKeyFZPLCGFXVGCGCI-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.63
Rot. Bonds2

About (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 86787087) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
PubChem CID86787087
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCC1c2ccccc2OC1C(=O)N1CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C19H20F3N3O2/c1-12-14-6-2-3-7-15(14)27-17(12)18(26)24-9-4-5-13(11-24)25-10-8-16(23-25)19(20,21)22/h2-3,6-8,10,12-13,17H,4-5,9,11H2,1H3
InChIKeyFZPLCGFXVGCGCI-UHFFFAOYSA-N
XLogP3.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone 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 (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (CID 86787087) is (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is CC1c2ccccc2OC1C(=O)N1CCCC(n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is FZPLCGFXVGCGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-12-14-6-2-3-7-15(14)27-17(12)18(26)24-9-4-5-13(11-24)25-10-8-16(23-25)19(20,21)22/h2-3,6-8,10,12-13,17H,4-5,9,11H2,1H3.
What are the key properties of (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 379.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 86787087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).