3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone

C12H16N2O2 — CID 102648712

IUPAC3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)C2=CCCCO2)n(C)n1
InChIInChI=1S/C12H16N2O2/c1-3-9-8-10(14(2)13-9)12(15)11-6-4-5-7-16-11/h6,8H,3-5,7H2,1-2H3
InChIKeyHVCOJCYXDWVELS-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.86
Rot. Bonds3

About 3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone (PubChem CID 102648712) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
PubChem CID102648712
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)C2=CCCCO2)n(C)n1
InChIInChI=1S/C12H16N2O2/c1-3-9-8-10(14(2)13-9)12(15)11-6-4-5-7-16-11/h6,8H,3-5,7H2,1-2H3
InChIKeyHVCOJCYXDWVELS-UHFFFAOYSA-N
XLogP1.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone (CID 102648712) is 3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone is CCc1cc(C(=O)C2=CCCCO2)n(C)n1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The InChIKey is HVCOJCYXDWVELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-9-8-10(14(2)13-9)12(15)11-6-4-5-7-16-11/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone has a molecular weight of 220.27 g/mol, XLogP of 1.86, 3 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-6-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 102648712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).