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

C9H5F3N4O2 — CID 175863781

IUPACpyrazolo[1,5-a]pyrimidine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1cnn2cccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C7H4N4.C2HF3O2/c8-4-6-5-10-11-3-1-2-9-7(6)11;3-2(4,5)1(6)7/h1-3,5H;(H,6,7)
InChIKeyWDNACPMBDQPDLV-UHFFFAOYSA-N
MW258.16 g/mol
LogP1.23
Rot. Bonds

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

pyrazolo[1,5-a]pyrimidine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 175863781) has the molecular formula C9H5F3N4O2 and a molecular weight of 258.16 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidine-3-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID175863781
Molecular FormulaC9H5F3N4O2
Molecular Weight258.16 g/mol
Exact Mass258.04
IUPAC Namepyrazolo[1,5-a]pyrimidine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1cnn2cccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C7H4N4.C2HF3O2/c8-4-6-5-10-11-3-1-2-9-7(6)11;3-2(4,5)1(6)7/h1-3,5H;(H,6,7)
InChIKeyWDNACPMBDQPDLV-UHFFFAOYSA-N
XLogP1.23
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrazolo[1,5-a]pyrimidine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 175863781) is pyrazolo[1,5-a]pyrimidine-3-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrazolo[1,5-a]pyrimidine-3-carbonitrile;2,2,2-trifluoroacetic acid is N#Cc1cnn2cccnc12.O=C(O)C(F)(F)F.
What is the InChIKey of pyrazolo[1,5-a]pyrimidine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is WDNACPMBDQPDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4.C2HF3O2/c8-4-6-5-10-11-3-1-2-9-7(6)11;3-2(4,5)1(6)7/h1-3,5H;(H,6,7).
What are the key properties of pyrazolo[1,5-a]pyrimidine-3-carbonitrile;2,2,2-trifluoroacetic acid?
pyrazolo[1,5-a]pyrimidine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 258.16 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175863781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).