3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one

C11H15F2N3O2 — CID 106492469

IUPAC3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one
SMILESCC(Cn1cccn1)NCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C11H15F2N3O2/c1-8(7-16-4-2-3-15-16)14-6-9-5-11(12,13)10(17)18-9/h2-4,8-9,14H,5-7H2,1H3
InChIKeyMVYRCKVGNIDASZ-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.81
Rot. Bonds5

About 3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one

3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one (PubChem CID 106492469) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one
PubChem CID106492469
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one
SMILESCC(Cn1cccn1)NCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C11H15F2N3O2/c1-8(7-16-4-2-3-15-16)14-6-9-5-11(12,13)10(17)18-9/h2-4,8-9,14H,5-7H2,1H3
InChIKeyMVYRCKVGNIDASZ-UHFFFAOYSA-N
XLogP0.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one (CID 106492469) is 3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one is CC(Cn1cccn1)NCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one?
The InChIKey is MVYRCKVGNIDASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c1-8(7-16-4-2-3-15-16)14-6-9-5-11(12,13)10(17)18-9/h2-4,8-9,14H,5-7H2,1H3.
What are the key properties of 3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one?
3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one has a molecular weight of 259.26 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]oxolan-2-one is sourced from PubChem (CID 106492469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).