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

C19H14F3N5 — CID 21066390

IUPAC5-phenyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H14F3N5/c20-19(21,22)15-12-25-27-17(24-11-13-5-4-8-23-10-13)9-16(26-18(15)27)14-6-2-1-3-7-14/h1-10,12,24H,11H2
InChIKeyNKQJCLKNNXPMEE-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.42
Rot. Bonds4

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

5-phenyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21066390) has the molecular formula C19H14F3N5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 5-phenyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-phenyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21066390
Molecular FormulaC19H14F3N5
Molecular Weight369.35 g/mol
Exact Mass369.12
IUPAC Name5-phenyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H14F3N5/c20-19(21,22)15-12-25-27-17(24-11-13-5-4-8-23-10-13)9-16(26-18(15)27)14-6-2-1-3-7-14/h1-10,12,24H,11H2
InChIKeyNKQJCLKNNXPMEE-UHFFFAOYSA-N
XLogP4.42
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.42
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-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-phenyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 21066390) is 5-phenyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-phenyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-phenyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)c1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 5-phenyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NKQJCLKNNXPMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5/c20-19(21,22)15-12-25-27-17(24-11-13-5-4-8-23-10-13)9-16(26-18(15)27)14-6-2-1-3-7-14/h1-10,12,24H,11H2.
What are the key properties of 5-phenyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-phenyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 369.35 g/mol, XLogP of 4.42, 4 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-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21066390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).