2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

C15H21N5O2 — CID 91832564

IUPAC2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESOCCn1ncc2c1CN(Cc1noc(C3CCCC3)n1)C2
InChIInChI=1S/C15H21N5O2/c21-6-5-20-13-9-19(8-12(13)7-16-20)10-14-17-15(22-18-14)11-3-1-2-4-11/h7,11,21H,1-6,8-10H2
InChIKeyNBVJFPIFGAIELX-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.43
Rot. Bonds5

About 2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 91832564) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID91832564
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESOCCn1ncc2c1CN(Cc1noc(C3CCCC3)n1)C2
InChIInChI=1S/C15H21N5O2/c21-6-5-20-13-9-19(8-12(13)7-16-20)10-14-17-15(22-18-14)11-3-1-2-4-11/h7,11,21H,1-6,8-10H2
InChIKeyNBVJFPIFGAIELX-UHFFFAOYSA-N
XLogP1.43
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 91832564) is 2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is OCCn1ncc2c1CN(Cc1noc(C3CCCC3)n1)C2.
What is the InChIKey of 2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is NBVJFPIFGAIELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c21-6-5-20-13-9-19(8-12(13)7-16-20)10-14-17-15(22-18-14)11-3-1-2-4-11/h7,11,21H,1-6,8-10H2.
What are the key properties of 2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol has a molecular weight of 303.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 91832564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).