4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid

C8H10F3N3O2 — CID 139034668

IUPAC4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cc2n(n1)CCCN2
InChIInChI=1S/C6H9N3.C2HF3O2/c1-3-7-6-2-4-8-9(6)5-1;3-2(4,5)1(6)7/h2,4,7H,1,3,5H2;(H,6,7)
InChIKeyMPXOWZKNQSFQLU-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.33
Rot. Bonds

About 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid

4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 139034668) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid
PubChem CID139034668
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cc2n(n1)CCCN2
InChIInChI=1S/C6H9N3.C2HF3O2/c1-3-7-6-2-4-8-9(6)5-1;3-2(4,5)1(6)7/h2,4,7H,1,3,5H2;(H,6,7)
InChIKeyMPXOWZKNQSFQLU-UHFFFAOYSA-N
XLogP1.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid (CID 139034668) is 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cc2n(n1)CCCN2.
What is the InChIKey of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is MPXOWZKNQSFQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.C2HF3O2/c1-3-7-6-2-4-8-9(6)5-1;3-2(4,5)1(6)7/h2,4,7H,1,3,5H2;(H,6,7).
What are the key properties of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 237.18 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 139034668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).