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

C18H24N6O — CID 56894051

IUPACN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NCCc2noc(C3CCCC3)n2)n2nccc2n1
InChIInChI=1S/C18H24N6O/c1-12(2)14-11-17(24-16(21-14)8-10-20-24)19-9-7-15-22-18(25-23-15)13-5-3-4-6-13/h8,10-13,19H,3-7,9H2,1-2H3
InChIKeyHCXCTEBUPOZIMK-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.55
Rot. Bonds6

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

N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56894051) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56894051
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NCCc2noc(C3CCCC3)n2)n2nccc2n1
InChIInChI=1S/C18H24N6O/c1-12(2)14-11-17(24-16(21-14)8-10-20-24)19-9-7-15-22-18(25-23-15)13-5-3-4-6-13/h8,10-13,19H,3-7,9H2,1-2H3
InChIKeyHCXCTEBUPOZIMK-UHFFFAOYSA-N
XLogP3.55
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56894051) is N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(NCCc2noc(C3CCCC3)n2)n2nccc2n1.
What is the InChIKey of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HCXCTEBUPOZIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12(2)14-11-17(24-16(21-14)8-10-20-24)19-9-7-15-22-18(25-23-15)13-5-3-4-6-13/h8,10-13,19H,3-7,9H2,1-2H3.
What are the key properties of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 340.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56894051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).