(5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one

C10H13F3N4O2 — CID 118197390

IUPAC(5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
SMILESC[C@H]1C(O)N(c2cc(C(F)(F)F)n(C)n2)C(=O)N1C
InChIInChI=1S/C10H13F3N4O2/c1-5-8(18)17(9(19)15(5)2)7-4-6(10(11,12)13)16(3)14-7/h4-5,8,18H,1-3H3/t5-,8?/m0/s1
InChIKeyFNFDZCUEUHQFNX-NTFOPCPOSA-N
MW278.23 g/mol
LogP1.02
Rot. Bonds1

About (5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one

(5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one (PubChem CID 118197390) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is (5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
PubChem CID118197390
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name(5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
SMILESC[C@H]1C(O)N(c2cc(C(F)(F)F)n(C)n2)C(=O)N1C
InChIInChI=1S/C10H13F3N4O2/c1-5-8(18)17(9(19)15(5)2)7-4-6(10(11,12)13)16(3)14-7/h4-5,8,18H,1-3H3/t5-,8?/m0/s1
InChIKeyFNFDZCUEUHQFNX-NTFOPCPOSA-N
XLogP1.02
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The IUPAC name of (5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one (CID 118197390) is (5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for (5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The canonical SMILES for (5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one is C[C@H]1C(O)N(c2cc(C(F)(F)F)n(C)n2)C(=O)N1C.
What is the InChIKey of (5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The InChIKey is FNFDZCUEUHQFNX-NTFOPCPOSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-5-8(18)17(9(19)15(5)2)7-4-6(10(11,12)13)16(3)14-7/h4-5,8,18H,1-3H3/t5-,8?/m0/s1.
What are the key properties of (5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
(5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one has a molecular weight of 278.23 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 118197390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).