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

C17H22N6O — CID 70765537

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NCc2noc(C3CCCC3)n2)n2nccc2n1
InChIInChI=1S/C17H22N6O/c1-11(2)13-9-16(23-15(20-13)7-8-19-23)18-10-14-21-17(24-22-14)12-5-3-4-6-12/h7-9,11-12,18H,3-6,10H2,1-2H3
InChIKeyKEIWMWVHBASOHS-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.51
Rot. Bonds5

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

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70765537) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70765537
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(NCc2noc(C3CCCC3)n2)n2nccc2n1
InChIInChI=1S/C17H22N6O/c1-11(2)13-9-16(23-15(20-13)7-8-19-23)18-10-14-21-17(24-22-14)12-5-3-4-6-12/h7-9,11-12,18H,3-6,10H2,1-2H3
InChIKeyKEIWMWVHBASOHS-UHFFFAOYSA-N
XLogP3.51
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70765537) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(NCc2noc(C3CCCC3)n2)n2nccc2n1.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KEIWMWVHBASOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11(2)13-9-16(23-15(20-13)7-8-19-23)18-10-14-21-17(24-22-14)12-5-3-4-6-12/h7-9,11-12,18H,3-6,10H2,1-2H3.
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 326.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70765537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).