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

C15H20N4O — CID 77097538

IUPAC2-[5-[(5-ethyl-2-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCCc1ccc(CN2Cc3cnn(CCO)c3C2)nc1
InChIInChI=1S/C15H20N4O/c1-2-12-3-4-14(16-7-12)10-18-9-13-8-17-19(5-6-20)15(13)11-18/h3-4,7-8,20H,2,5-6,9-11H2,1H3
InChIKeyVOLMCBZLPHKMRZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.35
Rot. Bonds5

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

2-[5-[(5-ethyl-2-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 77097538) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[5-[(5-ethyl-2-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(5-ethyl-2-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID77097538
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[5-[(5-ethyl-2-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCCc1ccc(CN2Cc3cnn(CCO)c3C2)nc1
InChIInChI=1S/C15H20N4O/c1-2-12-3-4-14(16-7-12)10-18-9-13-8-17-19(5-6-20)15(13)11-18/h3-4,7-8,20H,2,5-6,9-11H2,1H3
InChIKeyVOLMCBZLPHKMRZ-UHFFFAOYSA-N
XLogP1.35
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-ethyl-2-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(5-ethyl-2-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 77097538) is 2-[5-[(5-ethyl-2-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(5-ethyl-2-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(5-ethyl-2-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is CCc1ccc(CN2Cc3cnn(CCO)c3C2)nc1.
What is the InChIKey of 2-[5-[(5-ethyl-2-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is VOLMCBZLPHKMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-12-3-4-14(16-7-12)10-18-9-13-8-17-19(5-6-20)15(13)11-18/h3-4,7-8,20H,2,5-6,9-11H2,1H3.
What are the key properties of 2-[5-[(5-ethyl-2-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-[(5-ethyl-2-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol has a molecular weight of 272.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-ethyl-2-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 77097538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).