[2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone

C18H17F4N3O2 — CID 24952306

IUPAC[2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-n2nc(C(F)(F)F)c3c2COCC3)cc1F)N1CCCC1
InChIInChI=1S/C18H17F4N3O2/c19-14-9-11(3-4-12(14)17(26)24-6-1-2-7-24)25-15-10-27-8-5-13(15)16(23-25)18(20,21)22/h3-4,9H,1-2,5-8,10H2
InChIKeyFIZCJEOCYKSTHX-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.34
Rot. Bonds2

About [2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone

[2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 24952306) has the molecular formula C18H17F4N3O2 and a molecular weight of 383.35 g/mol. Its IUPAC name is [2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID24952306
Molecular FormulaC18H17F4N3O2
Molecular Weight383.35 g/mol
Exact Mass383.13
IUPAC Name[2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-n2nc(C(F)(F)F)c3c2COCC3)cc1F)N1CCCC1
InChIInChI=1S/C18H17F4N3O2/c19-14-9-11(3-4-12(14)17(26)24-6-1-2-7-24)25-15-10-27-8-5-13(15)16(23-25)18(20,21)22/h3-4,9H,1-2,5-8,10H2
InChIKeyFIZCJEOCYKSTHX-UHFFFAOYSA-N
XLogP3.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone 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-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone (CID 24952306) is [2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(-n2nc(C(F)(F)F)c3c2COCC3)cc1F)N1CCCC1.
What is the InChIKey of [2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is FIZCJEOCYKSTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O2/c19-14-9-11(3-4-12(14)17(26)24-6-1-2-7-24)25-15-10-27-8-5-13(15)16(23-25)18(20,21)22/h3-4,9H,1-2,5-8,10H2.
What are the key properties of [2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone?
[2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 383.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24952306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).