1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol

C6H8N2O — CID 66489241

IUPAC1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol
SMILESOC1CCc2[nH]ncc21
InChIInChI=1S/C6H8N2O/c9-6-2-1-5-4(6)3-7-8-5/h3,6,9H,1-2H2,(H,7,8)
InChIKeyTVEXASYSIRFPRZ-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.39
Rot. Bonds

About 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol

1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol (PubChem CID 66489241) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol.

Molecular Properties

Compound Name1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol
PubChem CID66489241
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol
SMILESOC1CCc2[nH]ncc21
InChIInChI=1S/C6H8N2O/c9-6-2-1-5-4(6)3-7-8-5/h3,6,9H,1-2H2,(H,7,8)
InChIKeyTVEXASYSIRFPRZ-UHFFFAOYSA-N
XLogP0.39
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol?
The IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol (CID 66489241) is 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol.
What is the SMILES notation for 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol?
The canonical SMILES for 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol is OC1CCc2[nH]ncc21.
What is the InChIKey of 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol?
The InChIKey is TVEXASYSIRFPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c9-6-2-1-5-4(6)3-7-8-5/h3,6,9H,1-2H2,(H,7,8).
What are the key properties of 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol?
1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol has a molecular weight of 124.14 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-ol is sourced from PubChem (CID 66489241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).