5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C20H16F3N5 — CID 21066387

IUPAC5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H16F3N5/c21-20(22,23)10-16-13-26-28-18(25-12-14-5-4-8-24-11-14)9-17(27-19(16)28)15-6-2-1-3-7-15/h1-9,11,13,25H,10,12H2
InChIKeyIBEDLIVQQIXLFZ-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.51
Rot. Bonds5

About 5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21066387) has the molecular formula C20H16F3N5 and a molecular weight of 383.38 g/mol. Its IUPAC name is 5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21066387
Molecular FormulaC20H16F3N5
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H16F3N5/c21-20(22,23)10-16-13-26-28-18(25-12-14-5-4-8-24-11-14)9-17(27-19(16)28)15-6-2-1-3-7-15/h1-9,11,13,25H,10,12H2
InChIKeyIBEDLIVQQIXLFZ-UHFFFAOYSA-N
XLogP4.51
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 21066387) is 5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IBEDLIVQQIXLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5/c21-20(22,23)10-16-13-26-28-18(25-12-14-5-4-8-24-11-14)9-17(27-19(16)28)15-6-2-1-3-7-15/h1-9,11,13,25H,10,12H2.
What are the key properties of 5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 383.38 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21066387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).