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

C10H12N2O2 — CID 79583873

IUPAC2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one
SMILESCc1c(C2CC(=O)C=CO2)cnn1C
InChIInChI=1S/C10H12N2O2/c1-7-9(6-11-12(7)2)10-5-8(13)3-4-14-10/h3-4,6,10H,5H2,1-2H3
InChIKeyLCYNEOVRMYDUQL-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.27
Rot. Bonds1

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

2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one (PubChem CID 79583873) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one
PubChem CID79583873
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one
SMILESCc1c(C2CC(=O)C=CO2)cnn1C
InChIInChI=1S/C10H12N2O2/c1-7-9(6-11-12(7)2)10-5-8(13)3-4-14-10/h3-4,6,10H,5H2,1-2H3
InChIKeyLCYNEOVRMYDUQL-UHFFFAOYSA-N
XLogP1.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one (CID 79583873) is 2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one is Cc1c(C2CC(=O)C=CO2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one?
The InChIKey is LCYNEOVRMYDUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-9(6-11-12(7)2)10-5-8(13)3-4-14-10/h3-4,6,10H,5H2,1-2H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one?
2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one has a molecular weight of 192.22 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 79583873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).