2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

C8H12N2O2 — CID 66020841

IUPAC2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1CCO)CCC2
InChIInChI=1S/C8H12N2O2/c11-5-4-10-8(12)6-2-1-3-7(6)9-10/h9,11H,1-5H2
InChIKeyGNCTUEKUXMDVBR-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.34
Rot. Bonds2

About 2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (PubChem CID 66020841) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
PubChem CID66020841
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1CCO)CCC2
InChIInChI=1S/C8H12N2O2/c11-5-4-10-8(12)6-2-1-3-7(6)9-10/h9,11H,1-5H2
InChIKeyGNCTUEKUXMDVBR-UHFFFAOYSA-N
XLogP-0.34
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (CID 66020841) is 2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is O=c1c2c([nH]n1CCO)CCC2.
What is the InChIKey of 2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The InChIKey is GNCTUEKUXMDVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-5-4-10-8(12)6-2-1-3-7(6)9-10/h9,11H,1-5H2.
What are the key properties of 2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one has a molecular weight of 168.20 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 66020841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).