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

C8H12N2O — CID 21240647

IUPAC2-ethyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESCCN1N=C2CCCC2C1=O
InChIInChI=1S/C8H12N2O/c1-2-10-8(11)6-4-3-5-7(6)9-10/h6H,2-5H2,1H3
InChIKeyUUPWPCWQHXPYFN-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.00
Rot. Bonds1

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

2-ethyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (PubChem CID 21240647) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-ethyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name2-ethyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
PubChem CID21240647
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-ethyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESCCN1N=C2CCCC2C1=O
InChIInChI=1S/C8H12N2O/c1-2-10-8(11)6-4-3-5-7(6)9-10/h6H,2-5H2,1H3
InChIKeyUUPWPCWQHXPYFN-UHFFFAOYSA-N
XLogP1.00
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2H,3H,3aH,4H,5H,6H-cyclopenta[c]pyrazol-3-one
CID 20801972
3-cyclopentyl-1-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 86767721
2-(2,2,2-Trifluoroethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 133630551
5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one
CID 166263440
2-[(2,2-difluorocyclopentyl)methyl]-5-(3-methylbutyl)-4H-pyrazol-3-one
CID 167902504
1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one
CID 1237947
5-cyclopropyl-2-octyl-4H-pyrazol-3-one
CID 15752183
1-Ethyl-3-propyl-1H-pyrazol-5(4H)-one
CID 45121259
2,4,6-Triethyl-4,5-dihydropyridazin-3-one
CID 58694572
2,6-Diethyl-4-propyl-4,5-dihydropyridazin-3-one
CID 58694574
2,5-di(propan-2-yl)-4H-pyrazol-3-one
CID 59260086
2-ethyl-5-propan-2-yl-4H-pyrazol-3-one
CID 60983478

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The IUPAC name of 2-ethyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (CID 21240647) is 2-ethyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 2-ethyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The canonical SMILES for 2-ethyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is CCN1N=C2CCCC2C1=O.
What is the InChIKey of 2-ethyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The InChIKey is UUPWPCWQHXPYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-10-8(11)6-4-3-5-7(6)9-10/h6H,2-5H2,1H3.
What are the key properties of 2-ethyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
2-ethyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one has a molecular weight of 152.20 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 21240647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).