5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C19H20N6O — CID 95712908

IUPAC5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1noc([C@@H](C)Nc2cc(-c3ccccc3)nc3ccnn23)n1
InChIInChI=1S/C19H20N6O/c1-12(2)18-23-19(26-24-18)13(3)21-17-11-15(14-7-5-4-6-8-14)22-16-9-10-20-25(16)17/h4-13,21H,1-3H3/t13-/m1/s1
InChIKeyNMZJHJLNJAAZJB-CYBMUJFWSA-N
MW348.41 g/mol
LogP4.08
Rot. Bonds5

About 5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95712908) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95712908
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1noc([C@@H](C)Nc2cc(-c3ccccc3)nc3ccnn23)n1
InChIInChI=1S/C19H20N6O/c1-12(2)18-23-19(26-24-18)13(3)21-17-11-15(14-7-5-4-6-8-14)22-16-9-10-20-25(16)17/h4-13,21H,1-3H3/t13-/m1/s1
InChIKeyNMZJHJLNJAAZJB-CYBMUJFWSA-N
XLogP4.08
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-propan-2-yl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56910693
4-[(1S,2R)-1-hydroxy-2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]phenol
CID 70722404
1-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56884548
5-propan-2-yl-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56910842
(3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95885389
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95719174
5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70785677
5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133295621
4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 34273923
5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95896744
5-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95863143
5-(4-fluorophenyl)-N-(1-pyridin-3-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56918481

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 95712908) is 5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1noc([C@@H](C)Nc2cc(-c3ccccc3)nc3ccnn23)n1.
What is the InChIKey of 5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NMZJHJLNJAAZJB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N6O/c1-12(2)18-23-19(26-24-18)13(3)21-17-11-15(14-7-5-4-6-8-14)22-16-9-10-20-25(16)17/h4-13,21H,1-3H3/t13-/m1/s1.
What are the key properties of 5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 348.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95712908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).