N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H22F3N5 — CID 171798191

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NC3CC4CCC(C3)N4)cc(C(F)(F)F)nc12
InChIInChI=1S/C17H22F3N5/c1-9(2)13-8-21-25-15(7-14(17(18,19)20)24-16(13)25)23-12-5-10-3-4-11(6-12)22-10/h7-12,22-23H,3-6H2,1-2H3
InChIKeySHWRBJRBOYBILN-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.57
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 171798191) has the molecular formula C17H22F3N5 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID171798191
Molecular FormulaC17H22F3N5
Molecular Weight353.39 g/mol
Exact Mass353.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cnn2c(NC3CC4CCC(C3)N4)cc(C(F)(F)F)nc12
InChIInChI=1S/C17H22F3N5/c1-9(2)13-8-21-25-15(7-14(17(18,19)20)24-16(13)25)23-12-5-10-3-4-11(6-12)22-10/h7-12,22-23H,3-6H2,1-2H3
InChIKeySHWRBJRBOYBILN-UHFFFAOYSA-N
XLogP3.57
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 171798191) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cnn2c(NC3CC4CCC(C3)N4)cc(C(F)(F)F)nc12.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SHWRBJRBOYBILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5/c1-9(2)13-8-21-25-15(7-14(17(18,19)20)24-16(13)25)23-12-5-10-3-4-11(6-12)22-10/h7-12,22-23H,3-6H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 353.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 171798191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).