5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid

C20H15F3N4O2 — CID 42640810

IUPAC5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid
SMILESCc1cc(-c2ccncc2)n2ncc(-c3ccccc3)c2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H14N4.C2HF3O2/c1-13-11-17(15-7-9-19-10-8-15)22-18(21-13)16(12-20-22)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-12H,1H3;(H,6,7)
InChIKeyUKDWPBCGFHXXRI-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.40
Rot. Bonds2

About 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid

5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 42640810) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid
PubChem CID42640810
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid
SMILESCc1cc(-c2ccncc2)n2ncc(-c3ccccc3)c2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H14N4.C2HF3O2/c1-13-11-17(15-7-9-19-10-8-15)22-18(21-13)16(12-20-22)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-12H,1H3;(H,6,7)
InChIKeyUKDWPBCGFHXXRI-UHFFFAOYSA-N
XLogP4.40
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid (CID 42640810) is 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid is Cc1cc(-c2ccncc2)n2ncc(-c3ccccc3)c2n1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is UKDWPBCGFHXXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4.C2HF3O2/c1-13-11-17(15-7-9-19-10-8-15)22-18(21-13)16(12-20-22)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-12H,1H3;(H,6,7).
What are the key properties of 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid?
5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 400.36 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 42640810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).