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

C11H16F2N4O2 — CID 162595826

IUPAC(4S)-1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one
SMILESC[C@H]1C(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/t6-,9?/m0/s1
InChIKeySSIFLQGLKJGVJO-AADKRJSRSA-N
MW274.27 g/mol
LogP1.11
Rot. Bonds2

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

(4S)-1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one (PubChem CID 162595826) has the molecular formula C11H16F2N4O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is (4S)-1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one
PubChem CID162595826
Molecular FormulaC11H16F2N4O2
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name(4S)-1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one
SMILESC[C@H]1C(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/t6-,9?/m0/s1
InChIKeySSIFLQGLKJGVJO-AADKRJSRSA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one?
The IUPAC name of (4S)-1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one (CID 162595826) is (4S)-1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one?
The canonical SMILES for (4S)-1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one is C[C@H]1C(O)N(c2cc(C(C)(F)F)n(C)n2)C(=O)N1C.
What is the InChIKey of (4S)-1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one?
The InChIKey is SSIFLQGLKJGVJO-AADKRJSRSA-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/t6-,9?/m0/s1.
What are the key properties of (4S)-1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one?
(4S)-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 (4S)-1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 162595826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).