N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide

C11H10F3N5O2 — CID 141107623

IUPACN-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cncnc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C11H10F3N5O2/c1-6(20)17-7-4-15-5-16-10(7)21-9-3-8(11(12,13)14)18-19(9)2/h3-5H,1-2H3,(H,17,20)
InChIKeyLQPYYAAAUGNOMN-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.98
Rot. Bonds3

About N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide

N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide (PubChem CID 141107623) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide
PubChem CID141107623
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC NameN-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cncnc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C11H10F3N5O2/c1-6(20)17-7-4-15-5-16-10(7)21-9-3-8(11(12,13)14)18-19(9)2/h3-5H,1-2H3,(H,17,20)
InChIKeyLQPYYAAAUGNOMN-UHFFFAOYSA-N
XLogP1.98
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide?
The IUPAC name of N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide (CID 141107623) is N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide?
The canonical SMILES for N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide is CC(=O)Nc1cncnc1Oc1cc(C(F)(F)F)nn1C.
What is the InChIKey of N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide?
The InChIKey is LQPYYAAAUGNOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c1-6(20)17-7-4-15-5-16-10(7)21-9-3-8(11(12,13)14)18-19(9)2/h3-5H,1-2H3,(H,17,20).
What are the key properties of N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide?
N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide has a molecular weight of 301.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide is sourced from PubChem (CID 141107623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).