oxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone

C12H18N2O2 — CID 178050206

IUPACoxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone
SMILESCC(C)c1cnn(C(=O)C2CCOCC2)c1
InChIInChI=1S/C12H18N2O2/c1-9(2)11-7-13-14(8-11)12(15)10-3-5-16-6-4-10/h7-10H,3-6H2,1-2H3
InChIKeyOKTOHSXZQNJTMI-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.07
Rot. Bonds2

About oxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone

oxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone (PubChem CID 178050206) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is oxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone
PubChem CID178050206
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameoxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone
SMILESCC(C)c1cnn(C(=O)C2CCOCC2)c1
InChIInChI=1S/C12H18N2O2/c1-9(2)11-7-13-14(8-11)12(15)10-3-5-16-6-4-10/h7-10H,3-6H2,1-2H3
InChIKeyOKTOHSXZQNJTMI-UHFFFAOYSA-N
XLogP2.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[2-(oxan-4-yl)ethyl]-4-propan-2-ylpyrazole
CID 170609133
oxan-4-yl-(4-propan-2-ylphenyl)methanone
CID 62905290
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide
CID 91780833
morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone
CID 166901168
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol
CID 62730914
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 112537685
N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide
CID 146567949
4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one
CID 112525017
(2S)-2-bromo-1-(oxan-4-yl)propan-1-one
CID 124710704
2-bromo-1-(oxan-4-yl)propan-1-one
CID 119056821
ethyl (3S)-3-(1-methylpyrazol-4-yl)-3-(oxan-4-yl)propanoate
CID 129409435

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone?
The IUPAC name of oxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone (CID 178050206) is oxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone.
What is the SMILES notation for oxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone?
The canonical SMILES for oxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone is CC(C)c1cnn(C(=O)C2CCOCC2)c1.
What is the InChIKey of oxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone?
The InChIKey is OKTOHSXZQNJTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)11-7-13-14(8-11)12(15)10-3-5-16-6-4-10/h7-10H,3-6H2,1-2H3.
What are the key properties of oxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone?
oxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(4-propan-2-ylpyrazol-1-yl)methanone is sourced from PubChem (CID 178050206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).