methyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate

C11H10F3N5O2 — CID 56790911

IUPACmethyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1ccc(Nc2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H10F3N5O2/c1-21-9(20)6-19-5-3-8(18-19)17-10-15-4-2-7(16-10)11(12,13)14/h2-5H,6H2,1H3,(H,15,16,17,18)
InChIKeyYNBIWIXIFGGYFU-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.61
Rot. Bonds4

About methyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate

methyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate (PubChem CID 56790911) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is methyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate
PubChem CID56790911
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Namemethyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1ccc(Nc2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H10F3N5O2/c1-21-9(20)6-19-5-3-8(18-19)17-10-15-4-2-7(16-10)11(12,13)14/h2-5H,6H2,1H3,(H,15,16,17,18)
InChIKeyYNBIWIXIFGGYFU-UHFFFAOYSA-N
XLogP1.61
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate 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 methyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate (CID 56790911) is methyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate is COC(=O)Cn1ccc(Nc2nccc(C(F)(F)F)n2)n1.
What is the InChIKey of methyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate?
The InChIKey is YNBIWIXIFGGYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c1-21-9(20)6-19-5-3-8(18-19)17-10-15-4-2-7(16-10)11(12,13)14/h2-5H,6H2,1H3,(H,15,16,17,18).
What are the key properties of methyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate?
methyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate has a molecular weight of 301.23 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetate is sourced from PubChem (CID 56790911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).