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

C8H12N2O — CID 45098315

IUPAC3,3-dimethyl-2,3a,4,5-tetrahydrocyclopenta[c]pyrazol-6-one
SMILESCC1(C)NN=C2C(=O)CCC21
InChIInChI=1S/C8H12N2O/c1-8(2)5-3-4-6(11)7(5)9-10-8/h5,10H,3-4H2,1-2H3
InChIKeyGJIBRUJQIHHOMT-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.70
Rot. Bonds

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

3,3-dimethyl-2,3a,4,5-tetrahydrocyclopenta[c]pyrazol-6-one (PubChem CID 45098315) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3,3-dimethyl-2,3a,4,5-tetrahydrocyclopenta[c]pyrazol-6-one.

Molecular Properties

Compound Name3,3-dimethyl-2,3a,4,5-tetrahydrocyclopenta[c]pyrazol-6-one
PubChem CID45098315
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3,3-dimethyl-2,3a,4,5-tetrahydrocyclopenta[c]pyrazol-6-one
SMILESCC1(C)NN=C2C(=O)CCC21
InChIInChI=1S/C8H12N2O/c1-8(2)5-3-4-6(11)7(5)9-10-8/h5,10H,3-4H2,1-2H3
InChIKeyGJIBRUJQIHHOMT-UHFFFAOYSA-N
XLogP0.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-2,3a,4,5-tetrahydrocyclopenta[c]pyrazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-1-methyl-6-oxabicyclo[3.2.1]octane-2,7-dione
CID 130738877
(1S,5S)-1-methyl-6-oxabicyclo[3.2.1]octane-2,7-dione
CID 101361916
(3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one
CID 70539958
(3aR)-3,3a,4,5,6,7-hexahydro-2H-cyclohepta[c]pyrazol-8-one
CID 94065375
2,6-dimethylpiperidin-3-one
CID 22623666
(4R)-4-bromo-3,3-dimethyl-2-methylidenecyclohexan-1-one
CID 132551745
1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one
CID 71389537
5,8,8-trimethyl-6-azabicyclo[3.2.1]octane-4,7-dione
CID 5222842
(3aS,7aR)-3-(3,5-dichlorophenyl)-6,6-dimethyl-3a,5,7,7a-tetrahydro-1H-indazol-4-one
CID 124679161
(5S)-5-methylpyrrolidin-2-one
CID 7458701
CID 166075419
CID 166075419
3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]-1-methylpiperidine-2,6-dione
CID 114277260

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,3a,4,5-tetrahydrocyclopenta[c]pyrazol-6-one?
The IUPAC name of 3,3-dimethyl-2,3a,4,5-tetrahydrocyclopenta[c]pyrazol-6-one (CID 45098315) is 3,3-dimethyl-2,3a,4,5-tetrahydrocyclopenta[c]pyrazol-6-one.
What is the SMILES notation for 3,3-dimethyl-2,3a,4,5-tetrahydrocyclopenta[c]pyrazol-6-one?
The canonical SMILES for 3,3-dimethyl-2,3a,4,5-tetrahydrocyclopenta[c]pyrazol-6-one is CC1(C)NN=C2C(=O)CCC21.
What is the InChIKey of 3,3-dimethyl-2,3a,4,5-tetrahydrocyclopenta[c]pyrazol-6-one?
The InChIKey is GJIBRUJQIHHOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-8(2)5-3-4-6(11)7(5)9-10-8/h5,10H,3-4H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,3a,4,5-tetrahydrocyclopenta[c]pyrazol-6-one?
3,3-dimethyl-2,3a,4,5-tetrahydrocyclopenta[c]pyrazol-6-one has a molecular weight of 152.20 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,3a,4,5-tetrahydrocyclopenta[c]pyrazol-6-one is sourced from PubChem (CID 45098315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).