prop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C11H9F3N4O2 — CID 90417814

IUPACprop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESC=CCOC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12
InChIInChI=1S/C11H9F3N4O2/c1-2-5-20-10(19)7-8(15)17-18-4-3-6(11(12,13)14)16-9(7)18/h2-4H,1,5H2,(H2,15,17)
InChIKeyYFVPBGFGALBYGT-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.67
Rot. Bonds3

About prop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

prop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 90417814) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is prop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID90417814
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Nameprop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESC=CCOC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12
InChIInChI=1S/C11H9F3N4O2/c1-2-5-20-10(19)7-8(15)17-18-4-3-6(11(12,13)14)16-9(7)18/h2-4H,1,5H2,(H2,15,17)
InChIKeyYFVPBGFGALBYGT-UHFFFAOYSA-N
XLogP1.67
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of prop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 90417814) is prop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for prop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for prop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is C=CCOC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.
What is the InChIKey of prop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is YFVPBGFGALBYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-2-5-20-10(19)7-8(15)17-18-4-3-6(11(12,13)14)16-9(7)18/h2-4H,1,5H2,(H2,15,17).
What are the key properties of prop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
prop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 286.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-amino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 90417814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).