3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one

C7H6N4O2 — CID 110467670

IUPAC3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one
SMILESO=C1CC(C(=O)n2cccn2)=NN1
InChIInChI=1S/C7H6N4O2/c12-6-4-5(9-10-6)7(13)11-3-1-2-8-11/h1-3H,4H2,(H,10,12)
InChIKeyIMJWTWHUIPOYBL-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.60
Rot. Bonds1

About 3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one

3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one (PubChem CID 110467670) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one
PubChem CID110467670
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one
SMILESO=C1CC(C(=O)n2cccn2)=NN1
InChIInChI=1S/C7H6N4O2/c12-6-4-5(9-10-6)7(13)11-3-1-2-8-11/h1-3H,4H2,(H,10,12)
InChIKeyIMJWTWHUIPOYBL-UHFFFAOYSA-N
XLogP-0.60
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one
CID 154859786
[6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone
CID 3508753
6-oxo-N-(2-pyrazol-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61276124
5-oxo-N-pyridin-4-yl-1,4-dihydropyrazole-3-carboxamide
CID 110467687
6-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61258857
(4-bromothiophen-2-yl)-pyrazol-1-ylmethanone
CID 2225157
(5-bromothiophen-2-yl)-pyrazol-1-ylmethanone
CID 17374707
3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one
CID 154863873
(4-chlorophenyl)-pyrazol-1-ylmethanone
CID 4289053
(2,6-dichlorophenyl)-pyrazol-1-ylmethanone
CID 903789
N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467706
(2-methylphenyl)-pyrazol-1-ylmethanone
CID 685230

Frequently Asked Questions

What is the IUPAC name of 3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one (CID 110467670) is 3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one is O=C1CC(C(=O)n2cccn2)=NN1.
What is the InChIKey of 3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one?
The InChIKey is IMJWTWHUIPOYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c12-6-4-5(9-10-6)7(13)11-3-1-2-8-11/h1-3H,4H2,(H,10,12).
What are the key properties of 3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one?
3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one has a molecular weight of 178.15 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 110467670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).