1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one

C13H20N2O2 — CID 64772784

IUPAC1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
SMILESCC(C)n1ccc(CC(=O)CC2CCCO2)n1
InChIInChI=1S/C13H20N2O2/c1-10(2)15-6-5-11(14-15)8-12(16)9-13-4-3-7-17-13/h5-6,10,13H,3-4,7-9H2,1-2H3
InChIKeySFRXSZCORCGGMU-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.14
Rot. Bonds5

About 1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one

1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one (PubChem CID 64772784) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
PubChem CID64772784
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
SMILESCC(C)n1ccc(CC(=O)CC2CCCO2)n1
InChIInChI=1S/C13H20N2O2/c1-10(2)15-6-5-11(14-15)8-12(16)9-13-4-3-7-17-13/h5-6,10,13H,3-4,7-9H2,1-2H3
InChIKeySFRXSZCORCGGMU-UHFFFAOYSA-N
XLogP2.14
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one (CID 64772784) is 1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one is CC(C)n1ccc(CC(=O)CC2CCCO2)n1.
What is the InChIKey of 1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The InChIKey is SFRXSZCORCGGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)15-6-5-11(14-15)8-12(16)9-13-4-3-7-17-13/h5-6,10,13H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one has a molecular weight of 236.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 64772784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).