[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone

C11H14F2N2O2 — CID 146444844

IUPAC[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone
SMILESCc1cn(C)nc1C(=O)[C@]1(C)CC(F)(F)CO1
InChIInChI=1S/C11H14F2N2O2/c1-7-4-15(3)14-8(7)9(16)10(2)5-11(12,13)6-17-10/h4H,5-6H2,1-3H3/t10-/m0/s1
InChIKeyZRJMAHVOLJTAOG-JTQLQIEISA-N
MW244.24 g/mol
LogP1.73
Rot. Bonds2

About [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone

[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone (PubChem CID 146444844) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone
PubChem CID146444844
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone
SMILESCc1cn(C)nc1C(=O)[C@]1(C)CC(F)(F)CO1
InChIInChI=1S/C11H14F2N2O2/c1-7-4-15(3)14-8(7)9(16)10(2)5-11(12,13)6-17-10/h4H,5-6H2,1-3H3/t10-/m0/s1
InChIKeyZRJMAHVOLJTAOG-JTQLQIEISA-N
XLogP1.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-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 [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone (CID 146444844) is [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone is Cc1cn(C)nc1C(=O)[C@]1(C)CC(F)(F)CO1.
What is the InChIKey of [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone?
The InChIKey is ZRJMAHVOLJTAOG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-7-4-15(3)14-8(7)9(16)10(2)5-11(12,13)6-17-10/h4H,5-6H2,1-3H3/t10-/m0/s1.
What are the key properties of [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone?
[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone has a molecular weight of 244.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 146444844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).