5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one

C6H6N2O — CID 10192567

IUPAC5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one
SMILESO=C1CCc2[nH]ncc21
InChIInChI=1S/C6H6N2O/c9-6-2-1-5-4(6)3-7-8-5/h3H,1-2H2,(H,7,8)
InChIKeyFBAMWFMIJZIVKS-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.54
Rot. Bonds

About 5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one

5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one (PubChem CID 10192567) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one.

Molecular Properties

Compound Name5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one
PubChem CID10192567
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one
SMILESO=C1CCc2[nH]ncc21
InChIInChI=1S/C6H6N2O/c9-6-2-1-5-4(6)3-7-8-5/h3H,1-2H2,(H,7,8)
InChIKeyFBAMWFMIJZIVKS-UHFFFAOYSA-N
XLogP0.54
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-tetrahydro-1H-indazol-4-one
CID 10171247
1-(5-methyl-1H-pyrazol-4-yl)ethan-1-one
CID 13221039
6-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4(1H)-one
CID 145864850
1-[5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-4-yl]ethanone
CID 179009923
4,7-Dioxoindazole
CID 21545714
1-(5-acetyl-1H-pyrazol-4-yl)ethanone
CID 57661008
4,5-Dioxo-4,5,6,7-tetrahydroindazole
CID 69745042
4,5-Dioxoindazole
CID 129759004
1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one
CID 89112233
1-[5-(difluoromethyl)-1H-pyrazol-4-yl]butan-1-one
CID 134205468
1-[5-(difluoromethyl)-1H-pyrazol-4-yl]propan-1-one
CID 134205471
1-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-methylpropan-1-one
CID 134205476

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one?
The IUPAC name of 5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one (CID 10192567) is 5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one.
What is the SMILES notation for 5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one?
The canonical SMILES for 5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one is O=C1CCc2[nH]ncc21.
What is the InChIKey of 5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one?
The InChIKey is FBAMWFMIJZIVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c9-6-2-1-5-4(6)3-7-8-5/h3H,1-2H2,(H,7,8).
What are the key properties of 5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one?
5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one has a molecular weight of 122.13 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1H-cyclopenta[d]pyrazol-4-one is sourced from PubChem (CID 10192567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).