N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C11H14F3N3O3S — CID 35293078

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H14F3N3O3S/c1-7-4-9(11(12,13)14)16-17(7)5-10(18)15-8-2-3-21(19,20)6-8/h4,8H,2-3,5-6H2,1H3,(H,15,18)/t8-/m1/s1
InChIKeyZRDSINQAYPLRMV-MRVPVSSYSA-N
MW325.31 g/mol
LogP0.51
Rot. Bonds3

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 35293078) has the molecular formula C11H14F3N3O3S and a molecular weight of 325.31 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID35293078
Molecular FormulaC11H14F3N3O3S
Molecular Weight325.31 g/mol
Exact Mass325.07
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H14F3N3O3S/c1-7-4-9(11(12,13)14)16-17(7)5-10(18)15-8-2-3-21(19,20)6-8/h4,8H,2-3,5-6H2,1H3,(H,15,18)/t8-/m1/s1
InChIKeyZRDSINQAYPLRMV-MRVPVSSYSA-N
XLogP0.51
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 35293078) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZRDSINQAYPLRMV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14F3N3O3S/c1-7-4-9(11(12,13)14)16-17(7)5-10(18)15-8-2-3-21(19,20)6-8/h4,8H,2-3,5-6H2,1H3,(H,15,18)/t8-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 325.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 35293078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).