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

C12H17N5O2 — CID 56710695

IUPAC2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCCCc1nc(N2Cc3cnn(CCO)c3C2)no1
InChIInChI=1S/C12H17N5O2/c1-2-3-11-14-12(15-19-11)16-7-9-6-13-17(4-5-18)10(9)8-16/h6,18H,2-5,7-8H2,1H3
InChIKeyXHNFZOVAOHIXAK-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.73
Rot. Bonds5

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

2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 56710695) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID56710695
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCCCc1nc(N2Cc3cnn(CCO)c3C2)no1
InChIInChI=1S/C12H17N5O2/c1-2-3-11-14-12(15-19-11)16-7-9-6-13-17(4-5-18)10(9)8-16/h6,18H,2-5,7-8H2,1H3
InChIKeyXHNFZOVAOHIXAK-UHFFFAOYSA-N
XLogP0.73
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-{[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amino]methyl}-3-methyl-1H-pyrazol-1-yl)ethanol
CID 129619902
2-[5-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56756276
2-[5-(5-ethylpyrimidin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56723204
2-[5-(5-isopropyl-1,2,4-oxadiazol-3-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56748621
2-[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56748765
2-(4-{[2-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methyl}-3-methyl-1H-pyrazol-1-yl)ethanol
CID 70718473
2-[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 91832564
2-[5-({3-[(methylthio)methyl]-1,2,4-oxadiazol-5-yl}methyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 91841556
2-[3-methyl-4-[[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 96368964
2-[3-methyl-4-[[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 96368965
2-(4-{[[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl](methyl)amino]methyl}-3-methyl-1H-pyrazol-1-yl)ethanol
CID 131927657
N-{1-[(1-Ethyl-5-methyl-1H-pyrazol-4-YL)methyl]tetrahydro-1H-pyrrol-3-YL}-N-[2-(5-methyl-1,2,4-oxadiazol-3-YL)ethyl]acetamide
CID 137911657

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 56710695) is 2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is CCCc1nc(N2Cc3cnn(CCO)c3C2)no1.
What is the InChIKey of 2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is XHNFZOVAOHIXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-2-3-11-14-12(15-19-11)16-7-9-6-13-17(4-5-18)10(9)8-16/h6,18H,2-5,7-8H2,1H3.
What are the key properties of 2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol has a molecular weight of 263.30 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 56710695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).