3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole

C8H8N2O — CID 166796847

IUPAC3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESC#Cc1nn(O)c2c1CCC2
InChIInChI=1S/C8H8N2O/c1-2-7-6-4-3-5-8(6)10(11)9-7/h1,11H,3-5H2
InChIKeyHHGPJGGCBZROAP-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.59
Rot. Bonds

About 3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole

3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 166796847) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID166796847
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESC#Cc1nn(O)c2c1CCC2
InChIInChI=1S/C8H8N2O/c1-2-7-6-4-3-5-8(6)10(11)9-7/h1,11H,3-5H2
InChIKeyHHGPJGGCBZROAP-UHFFFAOYSA-N
XLogP0.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 137399513
1-hydroxy-3-methylsulfonyl-4,5,6,7-tetrahydroindazole
CID 166796743
3-ethynyl-1-hydroxypyrazolo[5,4-d][1,3]thiazole
CID 146568121
1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile
CID 105487277
1-(1-bicyclo[1.1.0]butanyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile
CID 145349924
(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110388981
1-(4-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28976720
1-ethyl-3-methyl-4,5,6,7-tetrahydroindazole
CID 121292185
2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide
CID 75493488
1-tert-butyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 105461793
1-(3-bromo-4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile
CID 170619632
1-(3,4,5-trifluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 62812163

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 166796847) is 3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole is C#Cc1nn(O)c2c1CCC2.
What is the InChIKey of 3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is HHGPJGGCBZROAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-7-6-4-3-5-8(6)10(11)9-7/h1,11H,3-5H2.
What are the key properties of 3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole?
3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 148.16 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-1-hydroxy-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 166796847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).