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

C10H11F3N4O2 — CID 123142877

IUPAC4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one
SMILESCc1c(O)n(-c2cc(C(F)(F)F)n(C)n2)c(=O)n1C
InChIInChI=1S/C10H11F3N4O2/c1-5-8(18)17(9(19)15(5)2)7-4-6(10(11,12)13)16(3)14-7/h4,18H,1-3H3
InChIKeyCHVSLVFRIHKMSF-UHFFFAOYSA-N
MW276.22 g/mol
LogP0.94
Rot. Bonds1

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

4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one (PubChem CID 123142877) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one
PubChem CID123142877
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one
SMILESCc1c(O)n(-c2cc(C(F)(F)F)n(C)n2)c(=O)n1C
InChIInChI=1S/C10H11F3N4O2/c1-5-8(18)17(9(19)15(5)2)7-4-6(10(11,12)13)16(3)14-7/h4,18H,1-3H3
InChIKeyCHVSLVFRIHKMSF-UHFFFAOYSA-N
XLogP0.94
TPSA64.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one?
The IUPAC name of 4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one (CID 123142877) is 4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one.
What is the SMILES notation for 4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one?
The canonical SMILES for 4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one is Cc1c(O)n(-c2cc(C(F)(F)F)n(C)n2)c(=O)n1C.
What is the InChIKey of 4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one?
The InChIKey is CHVSLVFRIHKMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c1-5-8(18)17(9(19)15(5)2)7-4-6(10(11,12)13)16(3)14-7/h4,18H,1-3H3.
What are the key properties of 4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one?
4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one has a molecular weight of 276.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one is sourced from PubChem (CID 123142877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).