2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one

C8H12N2O — CID 13114152

IUPAC2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one
SMILESCN1N=C2CCCC2(C)C1=O
InChIInChI=1S/C8H12N2O/c1-8-5-3-4-6(8)9-10(2)7(8)11/h3-5H2,1-2H3
InChIKeyNSGVALKRCDUPEM-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.00
Rot. Bonds

About 2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one

2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one (PubChem CID 13114152) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one
PubChem CID13114152
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one
SMILESCN1N=C2CCCC2(C)C1=O
InChIInChI=1S/C8H12N2O/c1-8-5-3-4-6(8)9-10(2)7(8)11/h3-5H2,1-2H3
InChIKeyNSGVALKRCDUPEM-UHFFFAOYSA-N
XLogP1.00
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of 2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one?
The IUPAC name of 2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one (CID 13114152) is 2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one?
The canonical SMILES for 2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one is CN1N=C2CCCC2(C)C1=O.
What is the InChIKey of 2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one?
The InChIKey is NSGVALKRCDUPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-8-5-3-4-6(8)9-10(2)7(8)11/h3-5H2,1-2H3.
What are the key properties of 2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one?
2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one has a molecular weight of 152.20 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 13114152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).