2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol

C8H12N2O — CID 83858896

IUPAC2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol
SMILESOCCc1n[nH]c2c1CCC2
InChIInChI=1S/C8H12N2O/c11-5-4-8-6-2-1-3-7(6)9-10-8/h11H,1-5H2,(H,9,10)
InChIKeyRQGCNIANBGBSLW-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.43
Rot. Bonds2

About 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol

2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol (PubChem CID 83858896) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol
PubChem CID83858896
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol
SMILESOCCc1n[nH]c2c1CCC2
InChIInChI=1S/C8H12N2O/c11-5-4-8-6-2-1-3-7(6)9-10-8/h11H,1-5H2,(H,9,10)
InChIKeyRQGCNIANBGBSLW-UHFFFAOYSA-N
XLogP0.43
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol?
The IUPAC name of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol (CID 83858896) is 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol?
The canonical SMILES for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol is OCCc1n[nH]c2c1CCC2.
What is the InChIKey of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol?
The InChIKey is RQGCNIANBGBSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c11-5-4-8-6-2-1-3-7(6)9-10-8/h11H,1-5H2,(H,9,10).
What are the key properties of 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol?
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol has a molecular weight of 152.20 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)ethanol is sourced from PubChem (CID 83858896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).