5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C13H10F3N5 — CID 56894950

IUPAC5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)CNc1cc(-c2ccncc2)nc2ccnn12
InChIInChI=1S/C13H10F3N5/c14-13(15,16)8-18-12-7-10(9-1-4-17-5-2-9)20-11-3-6-19-21(11)12/h1-7,18H,8H2
InChIKeyYYZUSVCNWUGDLN-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.77
Rot. Bonds3

About 5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56894950) has the molecular formula C13H10F3N5 and a molecular weight of 293.25 g/mol. Its IUPAC name is 5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56894950
Molecular FormulaC13H10F3N5
Molecular Weight293.25 g/mol
Exact Mass293.09
IUPAC Name5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)CNc1cc(-c2ccncc2)nc2ccnn12
InChIInChI=1S/C13H10F3N5/c14-13(15,16)8-18-12-7-10(9-1-4-17-5-2-9)20-11-3-6-19-21(11)12/h1-7,18H,8H2
InChIKeyYYZUSVCNWUGDLN-UHFFFAOYSA-N
XLogP2.77
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56894950) is 5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)CNc1cc(-c2ccncc2)nc2ccnn12.
What is the InChIKey of 5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YYZUSVCNWUGDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5/c14-13(15,16)8-18-12-7-10(9-1-4-17-5-2-9)20-11-3-6-19-21(11)12/h1-7,18H,8H2.
What are the key properties of 5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 293.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56894950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).