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

C12H13FN4O — CID 56743754

IUPAC2-[5-(3-fluoro-4-pyridinyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESOCCn1ncc2c1CN(c1ccncc1F)C2
InChIInChI=1S/C12H13FN4O/c13-10-6-14-2-1-11(10)16-7-9-5-15-17(3-4-18)12(9)8-16/h1-2,5-6,18H,3-4,7-8H2
InChIKeyYECRUHKRHHHDNA-UHFFFAOYSA-N
MW248.26 g/mol
LogP0.93
Rot. Bonds3

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

2-[5-(3-fluoro-4-pyridinyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 56743754) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-[5-(3-fluoro-4-pyridinyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(3-fluoro-4-pyridinyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID56743754
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name2-[5-(3-fluoro-4-pyridinyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESOCCn1ncc2c1CN(c1ccncc1F)C2
InChIInChI=1S/C12H13FN4O/c13-10-6-14-2-1-11(10)16-7-9-5-15-17(3-4-18)12(9)8-16/h1-2,5-6,18H,3-4,7-8H2
InChIKeyYECRUHKRHHHDNA-UHFFFAOYSA-N
XLogP0.93
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(7-chloroquinolin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
CID 56751478
2-[5-(8-chloroquinolin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
CID 56745527
2-[5-(5-propyl-1,2,4-oxadiazol-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
CID 56710695
1-[2-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]pyrimidin-4-yl]piperidin-3-ol
CID 56746549
4-(3-fluoro-4-pyridinyl)morpholine
CID 91005494
(3S)-3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-3-phenylpropan-1-one
CID 99930935
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 74250471
2-[5-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
CID 56721548
1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-morpholin-4-yl-2-pyridin-3-ylethanone
CID 72917291
2-[5-[(5-ethyl-2-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
CID 77097538
1-(3-fluoro-4-pyridinyl)-4-prop-1-en-2-ylpiperazine
CID 155454771
[(2S,6S)-4-(3-fluoro-4-pyridinyl)-6-methoxymorpholin-2-yl]methanol
CID 167838486

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-4-pyridinyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(3-fluoro-4-pyridinyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 56743754) is 2-[5-(3-fluoro-4-pyridinyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(3-fluoro-4-pyridinyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(3-fluoro-4-pyridinyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is OCCn1ncc2c1CN(c1ccncc1F)C2.
What is the InChIKey of 2-[5-(3-fluoro-4-pyridinyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is YECRUHKRHHHDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c13-10-6-14-2-1-11(10)16-7-9-5-15-17(3-4-18)12(9)8-16/h1-2,5-6,18H,3-4,7-8H2.
What are the key properties of 2-[5-(3-fluoro-4-pyridinyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-(3-fluoro-4-pyridinyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol has a molecular weight of 248.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoro-4-pyridinyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 56743754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).