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

C10H14F2N4O3 — CID 123885045

IUPAC1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4,5-dihydroxy-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(c2cc(C(C)(F)F)n(C)n2)C(O)C1O
InChIInChI=1S/C10H14F2N4O3/c1-10(11,12)5-4-6(13-15(5)3)16-8(18)7(17)14(2)9(16)19/h4,7-8,17-18H,1-3H3
InChIKeyQBXXNKYKGHQDEC-UHFFFAOYSA-N
MW276.24 g/mol
LogP0.04
Rot. Bonds2

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

1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4,5-dihydroxy-3-methylimidazolidin-2-one (PubChem CID 123885045) has the molecular formula C10H14F2N4O3 and a molecular weight of 276.24 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4,5-dihydroxy-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4,5-dihydroxy-3-methylimidazolidin-2-one
PubChem CID123885045
Molecular FormulaC10H14F2N4O3
Molecular Weight276.24 g/mol
Exact Mass276.10
IUPAC Name1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4,5-dihydroxy-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(c2cc(C(C)(F)F)n(C)n2)C(O)C1O
InChIInChI=1S/C10H14F2N4O3/c1-10(11,12)5-4-6(13-15(5)3)16-8(18)7(17)14(2)9(16)19/h4,7-8,17-18H,1-3H3
InChIKeyQBXXNKYKGHQDEC-UHFFFAOYSA-N
XLogP0.04
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]-5-hydroxy-3,4-dimethylimidazolidin-2-one
CID 123352342
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]-4,5-dihydroxy-3-methylimidazolidin-2-one?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4,5-dihydroxy-3-methylimidazolidin-2-one (CID 123885045) is 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4,5-dihydroxy-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4,5-dihydroxy-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4,5-dihydroxy-3-methylimidazolidin-2-one is CN1C(=O)N(c2cc(C(C)(F)F)n(C)n2)C(O)C1O.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4,5-dihydroxy-3-methylimidazolidin-2-one?
The InChIKey is QBXXNKYKGHQDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O3/c1-10(11,12)5-4-6(13-15(5)3)16-8(18)7(17)14(2)9(16)19/h4,7-8,17-18H,1-3H3.
What are the key properties of 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4,5-dihydroxy-3-methylimidazolidin-2-one?
1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4,5-dihydroxy-3-methylimidazolidin-2-one has a molecular weight of 276.24 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]-4,5-dihydroxy-3-methylimidazolidin-2-one is sourced from PubChem (CID 123885045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).