2-(1,5-dimethylpyrazol-4-yl)oxan-4-one

C10H14N2O2 — CID 79583960

IUPAC2-(1,5-dimethylpyrazol-4-yl)oxan-4-one
SMILESCc1c(C2CC(=O)CCO2)cnn1C
InChIInChI=1S/C10H14N2O2/c1-7-9(6-11-12(7)2)10-5-8(13)3-4-14-10/h6,10H,3-5H2,1-2H3
InChIKeyMGSPFHWJIZFBJN-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.15
Rot. Bonds1

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

2-(1,5-dimethylpyrazol-4-yl)oxan-4-one (PubChem CID 79583960) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)oxan-4-one.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)oxan-4-one
PubChem CID79583960
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)oxan-4-one
SMILESCc1c(C2CC(=O)CCO2)cnn1C
InChIInChI=1S/C10H14N2O2/c1-7-9(6-11-12(7)2)10-5-8(13)3-4-14-10/h6,10H,3-5H2,1-2H3
InChIKeyMGSPFHWJIZFBJN-UHFFFAOYSA-N
XLogP1.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one
CID 79583873
CID 166105511
CID 166105511
3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one
CID 79583481
trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 124512028
trans-(1R,2S)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 91647637
1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole
CID 153338941
4-amino-5-(1,5-dimethylpyrazol-4-yl)-1,5-dihydroimidazol-2-one
CID 79961898
2-(6-bromo-3-pyridinyl)oxan-4-one
CID 172993602
2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
CID 122198975
(4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
CID 178196676
[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol
CID 79595799
8-[(1,5-dimethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
CID 106039534

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)oxan-4-one?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)oxan-4-one (CID 79583960) is 2-(1,5-dimethylpyrazol-4-yl)oxan-4-one.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)oxan-4-one?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)oxan-4-one is Cc1c(C2CC(=O)CCO2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)oxan-4-one?
The InChIKey is MGSPFHWJIZFBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-9(6-11-12(7)2)10-5-8(13)3-4-14-10/h6,10H,3-5H2,1-2H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)oxan-4-one?
2-(1,5-dimethylpyrazol-4-yl)oxan-4-one has a molecular weight of 194.23 g/mol, XLogP of 1.15, 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)oxan-4-one is sourced from PubChem (CID 79583960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).