5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one

C8H12N4O2 — CID 82505544

IUPAC5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one
SMILESO=C(c1cc(=O)[nH][nH]1)N1CCNCC1
InChIInChI=1S/C8H12N4O2/c13-7-5-6(10-11-7)8(14)12-3-1-9-2-4-12/h5,9H,1-4H2,(H2,10,11,13)
InChIKeyDBSYGOSFYZXMRO-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.25
Rot. Bonds1

About 5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one

5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one (PubChem CID 82505544) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one
PubChem CID82505544
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one
SMILESO=C(c1cc(=O)[nH][nH]1)N1CCNCC1
InChIInChI=1S/C8H12N4O2/c13-7-5-6(10-11-7)8(14)12-3-1-9-2-4-12/h5,9H,1-4H2,(H2,10,11,13)
InChIKeyDBSYGOSFYZXMRO-UHFFFAOYSA-N
XLogP-1.25
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanoethyl)-N-ethyl-3-oxo-1H-pyrazole-5-carboxamide
CID 21501925
N-methyl-2-[3-(methylamino)-3-oxopropyl]-3-oxo-1H-pyrazole-5-carboxamide
CID 21501927
N-butyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 53992180
5-(Morpholine-4-carbonyl)-1,2-dihydropyrazol-3-one
CID 57712978
5-Methyl-4-piperazin-1-yl-1,2-dihydropyrazol-3-one
CID 82654876
N-ethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466350
N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600660
5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide
CID 112513801
5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide
CID 112513802
N-(2-methylpropyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513805
1,5,6,7-Tetrahydropyrazolo[1,5-a]pyrazine-2,4-dione
CID 141399033
(Z)-2-amino-3-hydrazinyl-1-piperazin-1-ylprop-2-en-1-one
CID 142382088

Frequently Asked Questions

What is the IUPAC name of 5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one (CID 82505544) is 5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one is O=C(c1cc(=O)[nH][nH]1)N1CCNCC1.
What is the InChIKey of 5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one?
The InChIKey is DBSYGOSFYZXMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-7-5-6(10-11-7)8(14)12-3-1-9-2-4-12/h5,9H,1-4H2,(H2,10,11,13).
What are the key properties of 5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one?
5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one has a molecular weight of 196.21 g/mol, XLogP of -1.25, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazine-1-carbonyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 82505544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).