3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone

C11H14N2O2 — CID 105127413

IUPAC3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)C2=COCCC2)n(C)n1
InChIInChI=1S/C11H14N2O2/c1-8-6-10(13(2)12-8)11(14)9-4-3-5-15-7-9/h6-7H,3-5H2,1-2H3
InChIKeyACGRFBXNXVOFDB-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.61
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone

3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 105127413) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID105127413
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)C2=COCCC2)n(C)n1
InChIInChI=1S/C11H14N2O2/c1-8-6-10(13(2)12-8)11(14)9-4-3-5-15-7-9/h6-7H,3-5H2,1-2H3
InChIKeyACGRFBXNXVOFDB-UHFFFAOYSA-N
XLogP1.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-pyran-5-yl-(2,5-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 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone (CID 105127413) is 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)C2=COCCC2)n(C)n1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is ACGRFBXNXVOFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-6-10(13(2)12-8)11(14)9-4-3-5-15-7-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone?
3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 206.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 105127413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).