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

C10H13F3N4O — CID 155367241

IUPAC4,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
SMILESCn1nc(N2CC(C)(C)NC2=O)cc1C(F)(F)F
InChIInChI=1S/C10H13F3N4O/c1-9(2)5-17(8(18)14-9)7-4-6(10(11,12)13)16(3)15-7/h4H,5H2,1-3H3,(H,14,18)
InChIKeyRZYDLUGTBKWJDM-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.75
Rot. Bonds1

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

4,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one (PubChem CID 155367241) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 4,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
PubChem CID155367241
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name4,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
SMILESCn1nc(N2CC(C)(C)NC2=O)cc1C(F)(F)F
InChIInChI=1S/C10H13F3N4O/c1-9(2)5-17(8(18)14-9)7-4-6(10(11,12)13)16(3)15-7/h4H,5H2,1-3H3,(H,14,18)
InChIKeyRZYDLUGTBKWJDM-UHFFFAOYSA-N
XLogP1.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The IUPAC name of 4,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one (CID 155367241) is 4,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one is Cn1nc(N2CC(C)(C)NC2=O)cc1C(F)(F)F.
What is the InChIKey of 4,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The InChIKey is RZYDLUGTBKWJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-9(2)5-17(8(18)14-9)7-4-6(10(11,12)13)16(3)15-7/h4H,5H2,1-3H3,(H,14,18).
What are the key properties of 4,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
4,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one has a molecular weight of 262.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 155367241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).