1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one

C17H23N5O2 — CID 90641656

IUPAC1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC(Cc2nc(C3CC3)no2)C1)n1cccn1
InChIInChI=1S/C17H23N5O2/c1-12(22-9-3-7-18-22)17(23)21-8-2-4-13(11-21)10-15-19-16(20-24-15)14-5-6-14/h3,7,9,12-14H,2,4-6,8,10-11H2,1H3
InChIKeyBLUDSYTXOIZXKV-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.19
Rot. Bonds5

About 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one

1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one (PubChem CID 90641656) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one
PubChem CID90641656
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC(Cc2nc(C3CC3)no2)C1)n1cccn1
InChIInChI=1S/C17H23N5O2/c1-12(22-9-3-7-18-22)17(23)21-8-2-4-13(11-21)10-15-19-16(20-24-15)14-5-6-14/h3,7,9,12-14H,2,4-6,8,10-11H2,1H3
InChIKeyBLUDSYTXOIZXKV-UHFFFAOYSA-N
XLogP2.19
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one (CID 90641656) is 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one is CC(C(=O)N1CCCC(Cc2nc(C3CC3)no2)C1)n1cccn1.
What is the InChIKey of 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The InChIKey is BLUDSYTXOIZXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(22-9-3-7-18-22)17(23)21-8-2-4-13(11-21)10-15-19-16(20-24-15)14-5-6-14/h3,7,9,12-14H,2,4-6,8,10-11H2,1H3.
What are the key properties of 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one?
1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 90641656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).