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

C11H16N2O2 — CID 66021719

IUPAC2-(2-hydroxycyclopentyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCCC1O)CCC2
InChIInChI=1S/C11H16N2O2/c14-10-6-2-5-9(10)13-11(15)7-3-1-4-8(7)12-13/h9-10,12,14H,1-6H2
InChIKeySBLPFGSQQBDKHO-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.75
Rot. Bonds1

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

2-(2-hydroxycyclopentyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (PubChem CID 66021719) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-hydroxycyclopentyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxycyclopentyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
PubChem CID66021719
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(2-hydroxycyclopentyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCCC1O)CCC2
InChIInChI=1S/C11H16N2O2/c14-10-6-2-5-9(10)13-11(15)7-3-1-4-8(7)12-13/h9-10,12,14H,1-6H2
InChIKeySBLPFGSQQBDKHO-UHFFFAOYSA-N
XLogP0.75
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclopentyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The IUPAC name of 2-(2-hydroxycyclopentyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (CID 66021719) is 2-(2-hydroxycyclopentyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 2-(2-hydroxycyclopentyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The canonical SMILES for 2-(2-hydroxycyclopentyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is O=c1c2c([nH]n1C1CCCC1O)CCC2.
What is the InChIKey of 2-(2-hydroxycyclopentyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The InChIKey is SBLPFGSQQBDKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-6-2-5-9(10)13-11(15)7-3-1-4-8(7)12-13/h9-10,12,14H,1-6H2.
What are the key properties of 2-(2-hydroxycyclopentyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
2-(2-hydroxycyclopentyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one has a molecular weight of 208.26 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclopentyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 66021719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).