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

C11H16F2N4O2 — CID 123352342

IUPAC1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one
SMILESCC1C(O)N(c2cc(C(C)(F)F)n(C)n2)C(=O)N1C
InChIInChI=1S/C11H16F2N4O2/c1-6-9(18)17(10(19)15(6)3)8-5-7(11(2,12)13)16(4)14-8/h5-6,9,18H,1-4H3
InChIKeySSIFLQGLKJGVJO-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.11
Rot. Bonds2

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

1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one (PubChem CID 123352342) has the molecular formula C11H16F2N4O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one
PubChem CID123352342
Molecular FormulaC11H16F2N4O2
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one
SMILESCC1C(O)N(c2cc(C(C)(F)F)n(C)n2)C(=O)N1C
InChIInChI=1S/C11H16F2N4O2/c1-6-9(18)17(10(19)15(6)3)8-5-7(11(2,12)13)16(4)14-8/h5-6,9,18H,1-4H3
InChIKeySSIFLQGLKJGVJO-UHFFFAOYSA-N
XLogP1.11
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 118197356
5-Ethoxy-4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 118197357
4,5-Dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 118197377
4-Hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 118197379
4-Hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 118197385
4-Hydroxy-1-methoxy-5-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 118197387
(5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 118197390
(5R)-1,5-dimethyl-2-methylidene-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-4-ol
CID 118200145
3-[5-(1,1-Difluoroethyl)-1-methylpyrazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one
CID 123251120
1-[5-(1,1-Difluoroethyl)-1-methylpyrazol-3-yl]-4,5-dihydroxy-3-methylimidazolidin-2-one
CID 123885045
1,5-Dimethyl-2-methylidene-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-4-ol
CID 144874670
1,5-Dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-4-ol
CID 160360927

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one (CID 123352342) is 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one is CC1C(O)N(c2cc(C(C)(F)F)n(C)n2)C(=O)N1C.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one?
The InChIKey is SSIFLQGLKJGVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O2/c1-6-9(18)17(10(19)15(6)3)8-5-7(11(2,12)13)16(4)14-8/h5-6,9,18H,1-4H3.
What are the key properties of 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one?
1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one has a molecular weight of 274.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 123352342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).