ethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate

C10H8F3N3O3 — CID 166154622

IUPACethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2[nH]c(=O)cc(C(F)(F)F)n2n1
InChIInChI=1S/C10H8F3N3O3/c1-2-19-9(18)5-3-7-14-8(17)4-6(10(11,12)13)16(7)15-5/h3-4H,2H2,1H3,(H,14,17)
InChIKeyZKBCLNSYQFATSP-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.22
Rot. Bonds2

About ethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 166154622) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is ethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID166154622
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC Nameethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2[nH]c(=O)cc(C(F)(F)F)n2n1
InChIInChI=1S/C10H8F3N3O3/c1-2-19-9(18)5-3-7-14-8(17)4-6(10(11,12)13)16(7)15-5/h3-4H,2H2,1H3,(H,14,17)
InChIKeyZKBCLNSYQFATSP-UHFFFAOYSA-N
XLogP1.22
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 2964195
Ethyl 5-methyl-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 2981135
ethyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 135741928
7-amino-5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 136257497
methyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 137174733
3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate
CID 11287330
ethyl 3-acetamido-1H-pyrazole-5-carboxylate
CID 58810185
7-methyl-5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 135455844
ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate
CID 75447944
methyl 1-methyl-5-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]carbamoylamino]pyrazole-3-carboxylate
CID 164630534
rac-ethyl (5R,7R)-5-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 974428
Ethyl 5-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
CID 59001562

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 166154622) is ethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2[nH]c(=O)cc(C(F)(F)F)n2n1.
What is the InChIKey of ethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is ZKBCLNSYQFATSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c1-2-19-9(18)5-3-7-14-8(17)4-6(10(11,12)13)16(7)15-5/h3-4H,2H2,1H3,(H,14,17).
What are the key properties of ethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 275.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 166154622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).