5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one

C11H16N2O2 — CID 155451327

IUPAC5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one
SMILESO=c1cc(C2CC2)[nH]n1C1CCOCC1
InChIInChI=1S/C11H16N2O2/c14-11-7-10(8-1-2-8)12-13(11)9-3-5-15-6-4-9/h7-9,12H,1-6H2
InChIKeyNJLVUTDXHLEJGN-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.41
Rot. Bonds2

About 5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one

5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one (PubChem CID 155451327) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one
PubChem CID155451327
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one
SMILESO=c1cc(C2CC2)[nH]n1C1CCOCC1
InChIInChI=1S/C11H16N2O2/c14-11-7-10(8-1-2-8)12-13(11)9-3-5-15-6-4-9/h7-9,12H,1-6H2
InChIKeyNJLVUTDXHLEJGN-UHFFFAOYSA-N
XLogP1.41
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one (CID 155451327) is 5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one is O=c1cc(C2CC2)[nH]n1C1CCOCC1.
What is the InChIKey of 5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one?
The InChIKey is NJLVUTDXHLEJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11-7-10(8-1-2-8)12-13(11)9-3-5-15-6-4-9/h7-9,12H,1-6H2.
What are the key properties of 5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one?
5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one has a molecular weight of 208.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(oxan-4-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 155451327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).