1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol

C7H11N3O — CID 91574605

IUPAC1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol
SMILESCC(O)C1NCc2[nH]ncc21
InChIInChI=1S/C7H11N3O/c1-4(11)7-5-2-9-10-6(5)3-8-7/h2,4,7-8,11H,3H2,1H3,(H,9,10)
InChIKeyVZNLETHYLJTQLR-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.07
Rot. Bonds1

About 1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol

1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol (PubChem CID 91574605) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol
PubChem CID91574605
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol
SMILESCC(O)C1NCc2[nH]ncc21
InChIInChI=1S/C7H11N3O/c1-4(11)7-5-2-9-10-6(5)3-8-7/h2,4,7-8,11H,3H2,1H3,(H,9,10)
InChIKeyVZNLETHYLJTQLR-UHFFFAOYSA-N
XLogP-0.07
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-4-ol
CID 82418351
4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-4-carboxylic acid
CID 82413909
benzenesulfonic acid;4-(methoxymethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 174771382
benzenesulfonic acid;(4S)-4-(methoxymethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 174771380
4-cyclopropyl-5-propan-2-yl-1H-pyrazole
CID 130325431
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxamide
CID 166299269
1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol
CID 44829120
1-(4-cyclopropyl-1H-pyrazol-5-yl)ethanamine
CID 105422572
methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate
CID 99996671
(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 118699358
4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole
CID 174351058
ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 144959270

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol?
The IUPAC name of 1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol (CID 91574605) is 1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol?
The canonical SMILES for 1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol is CC(O)C1NCc2[nH]ncc21.
What is the InChIKey of 1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol?
The InChIKey is VZNLETHYLJTQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4(11)7-5-2-9-10-6(5)3-8-7/h2,4,7-8,11H,3H2,1H3,(H,9,10).
What are the key properties of 1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol?
1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol has a molecular weight of 153.19 g/mol, XLogP of -0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-4-yl)ethanol is sourced from PubChem (CID 91574605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).