(1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone

C11H16N2O2 — CID 130244369

IUPAC(1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone
SMILESCc1cc(C(=O)C2CCOCC2)nn1C
InChIInChI=1S/C11H16N2O2/c1-8-7-10(12-13(8)2)11(14)9-3-5-15-6-4-9/h7,9H,3-6H2,1-2H3
InChIKeyGYXYTXGWEPUAKG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.34
Rot. Bonds2

About (1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone

(1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone (PubChem CID 130244369) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone
PubChem CID130244369
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone
SMILESCc1cc(C(=O)C2CCOCC2)nn1C
InChIInChI=1S/C11H16N2O2/c1-8-7-10(12-13(8)2)11(14)9-3-5-15-6-4-9/h7,9H,3-6H2,1-2H3
InChIKeyGYXYTXGWEPUAKG-UHFFFAOYSA-N
XLogP1.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride
CID 159984372
1,5-dimethylpyrazole-3-carboxylic acid;iridium
CID 59657074
(2-methyltriazol-4-yl)-(oxolan-3-yl)methanone
CID 130521398
(4,5-dimethylthiophen-2-yl)-(oxan-4-yl)methanone
CID 114971833
(3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 130485656
[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride
CID 119518635
N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172899868
1,5-dimethyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119451610
4-(1,5-dimethylpyrazol-3-yl)oxane-4-carboxylic acid
CID 96797414
(3-methyltriazol-4-yl)-(oxolan-3-yl)methanone
CID 114685879
(2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone
CID 105099428

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone (CID 130244369) is (1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone is Cc1cc(C(=O)C2CCOCC2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone?
The InChIKey is GYXYTXGWEPUAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-7-10(12-13(8)2)11(14)9-3-5-15-6-4-9/h7,9H,3-6H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone?
(1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 130244369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).