3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one

C10H14F2N4O2 — CID 123251120

IUPAC3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(C)(F)F)n(C)n2)C1=O
InChIInChI=1S/C10H14F2N4O2/c1-10(11,12)6-4-7(13-15(6)3)16-8(17)5-14(2)9(16)18/h4,8,17H,5H2,1-3H3
InChIKeySGYALEGSUKKSAH-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.72
Rot. Bonds2

About 3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one

3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one (PubChem CID 123251120) has the molecular formula C10H14F2N4O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one
PubChem CID123251120
Molecular FormulaC10H14F2N4O2
Molecular Weight260.24 g/mol
Exact Mass260.11
IUPAC Name3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(C)(F)F)n(C)n2)C1=O
InChIInChI=1S/C10H14F2N4O2/c1-10(11,12)6-4-7(13-15(6)3)16-8(17)5-14(2)9(16)18/h4,8,17H,5H2,1-3H3
InChIKeySGYALEGSUKKSAH-UHFFFAOYSA-N
XLogP0.72
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one?
The IUPAC name of 3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one (CID 123251120) is 3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one.
What is the SMILES notation for 3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one?
The canonical SMILES for 3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one is CN1CC(O)N(c2cc(C(C)(F)F)n(C)n2)C1=O.
What is the InChIKey of 3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one?
The InChIKey is SGYALEGSUKKSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O2/c1-10(11,12)6-4-7(13-15(6)3)16-8(17)5-14(2)9(16)18/h4,8,17H,5H2,1-3H3.
What are the key properties of 3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one?
3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one has a molecular weight of 260.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one is sourced from PubChem (CID 123251120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).