pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

C9H7F3N4O3 — CID 135314157

IUPACpyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1cnn2cccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C7H6N4O.C2HF3O2/c8-6(12)5-4-10-11-3-1-2-9-7(5)11;3-2(4,5)1(6)7/h1-4H,(H2,8,12);(H,6,7)
InChIKeyQFOAQIZKVUACPV-UHFFFAOYSA-N
MW276.17 g/mol
LogP0.46
Rot. Bonds1

About pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 135314157) has the molecular formula C9H7F3N4O3 and a molecular weight of 276.17 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID135314157
Molecular FormulaC9H7F3N4O3
Molecular Weight276.17 g/mol
Exact Mass276.05
IUPAC Namepyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1cnn2cccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C7H6N4O.C2HF3O2/c8-6(12)5-4-10-11-3-1-2-9-7(5)11;3-2(4,5)1(6)7/h1-4H,(H2,8,12);(H,6,7)
InChIKeyQFOAQIZKVUACPV-UHFFFAOYSA-N
XLogP0.46
TPSA110.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 135314157) is pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1cnn2cccnc12.O=C(O)C(F)(F)F.
What is the InChIKey of pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is QFOAQIZKVUACPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O.C2HF3O2/c8-6(12)5-4-10-11-3-1-2-9-7(5)11;3-2(4,5)1(6)7/h1-4H,(H2,8,12);(H,6,7).
What are the key properties of pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 276.17 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 135314157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).