2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one

C11H14N2O2 — CID 130730289

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one
SMILESCc1nn(C)c(C)c1C1CC(=O)C=CO1
InChIInChI=1S/C11H14N2O2/c1-7-11(8(2)13(3)12-7)10-6-9(14)4-5-15-10/h4-5,10H,6H2,1-3H3
InChIKeyLCSYIZLDCNZQQB-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.58
Rot. Bonds1

About 2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one

2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one (PubChem CID 130730289) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one
PubChem CID130730289
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one
SMILESCc1nn(C)c(C)c1C1CC(=O)C=CO1
InChIInChI=1S/C11H14N2O2/c1-7-11(8(2)13(3)12-7)10-6-9(14)4-5-15-10/h4-5,10H,6H2,1-3H3
InChIKeyLCSYIZLDCNZQQB-UHFFFAOYSA-N
XLogP1.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one (CID 130730289) is 2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one is Cc1nn(C)c(C)c1C1CC(=O)C=CO1.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one?
The InChIKey is LCSYIZLDCNZQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-11(8(2)13(3)12-7)10-6-9(14)4-5-15-10/h4-5,10H,6H2,1-3H3.
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one?
2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one has a molecular weight of 206.24 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 130730289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).