2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

C8H12N2O — CID 66022322

IUPAC2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESCCn1[nH]c2c(c1=O)CCC2
InChIInChI=1S/C8H12N2O/c1-2-10-8(11)6-4-3-5-7(6)9-10/h9H,2-5H2,1H3
InChIKeyMOSAPTVBAVEMEH-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.69
Rot. Bonds1

About 2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (PubChem CID 66022322) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
PubChem CID66022322
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESCCn1[nH]c2c(c1=O)CCC2
InChIInChI=1S/C8H12N2O/c1-2-10-8(11)6-4-3-5-7(6)9-10/h9H,2-5H2,1H3
InChIKeyMOSAPTVBAVEMEH-UHFFFAOYSA-N
XLogP0.69
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The IUPAC name of 2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (CID 66022322) is 2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The canonical SMILES for 2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is CCn1[nH]c2c(c1=O)CCC2.
What is the InChIKey of 2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The InChIKey is MOSAPTVBAVEMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-10-8(11)6-4-3-5-7(6)9-10/h9H,2-5H2,1H3.
What are the key properties of 2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one has a molecular weight of 152.20 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 66022322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).