1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

C15H19N5O2 — CID 31003834

IUPAC1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCc1nonc1CC(=O)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C15H19N5O2/c1-9-13(19-22-18-9)7-14(21)20-6-5-12-11(8-20)15(17-16-12)10-3-2-4-10/h10H,2-8H2,1H3,(H,16,17)
InChIKeyLXCYKIODPHXXHJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.50
Rot. Bonds3

About 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (PubChem CID 31003834) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
PubChem CID31003834
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCc1nonc1CC(=O)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C15H19N5O2/c1-9-13(19-22-18-9)7-14(21)20-6-5-12-11(8-20)15(17-16-12)10-3-2-4-10/h10H,2-8H2,1H3,(H,16,17)
InChIKeyLXCYKIODPHXXHJ-UHFFFAOYSA-N
XLogP1.50
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (CID 31003834) is 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is Cc1nonc1CC(=O)N1CCc2[nH]nc(C3CCC3)c2C1.
What is the InChIKey of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The InChIKey is LXCYKIODPHXXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-13(19-22-18-9)7-14(21)20-6-5-12-11(8-20)15(17-16-12)10-3-2-4-10/h10H,2-8H2,1H3,(H,16,17).
What are the key properties of 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone has a molecular weight of 301.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 31003834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).