methyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate

C10H8F3N3O3 — CID 68784411

IUPACmethyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate
SMILESCOC(=O)Cn1c(=O)ccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H8F3N3O3/c1-19-9(18)5-15-7-4-6(10(11,12)13)14-16(7)3-2-8(15)17/h2-4H,5H2,1H3
InChIKeyOMICQJFSZQCACO-UHFFFAOYSA-N
MW275.19 g/mol
LogP0.69
Rot. Bonds2

About methyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate

methyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate (PubChem CID 68784411) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is methyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate
PubChem CID68784411
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC Namemethyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate
SMILESCOC(=O)Cn1c(=O)ccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H8F3N3O3/c1-19-9(18)5-15-7-4-6(10(11,12)13)14-16(7)3-2-8(15)17/h2-4H,5H2,1H3
InChIKeyOMICQJFSZQCACO-UHFFFAOYSA-N
XLogP0.69
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4(5H)-yl)acetic acid
CID 68784454
2-[5-Oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 68784639
[5-Oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate
CID 141275969
Ethyl 2-[5-formyl-6-[[methyl(propyl)amino]methyl]-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate
CID 142564939
Ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]amino]acetate
CID 169179942
Ethyl 2-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(2-oxopropyl)amino]acetate
CID 169179948
Ethyl 2-[3-methyl-5-[(2,2,2-trifluoroacetyl)amino]pyrazol-1-yl]acetate
CID 178084687
4-Methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271440
4-Ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271470
7-Oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271495
4-(2-Methylpropyl)-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271515
Ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate
CID 126832537

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate?
The IUPAC name of methyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate (CID 68784411) is methyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate?
The canonical SMILES for methyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate is COC(=O)Cn1c(=O)ccn2nc(C(F)(F)F)cc12.
What is the InChIKey of methyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate?
The InChIKey is OMICQJFSZQCACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c1-19-9(18)5-15-7-4-6(10(11,12)13)14-16(7)3-2-8(15)17/h2-4H,5H2,1H3.
What are the key properties of methyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate?
methyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate has a molecular weight of 275.19 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate is sourced from PubChem (CID 68784411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).