5-pyridin-2-yl-1,2-dihydropyrazol-3-one

C8H7N3O — CID 569035

IUPAC5-pyridin-2-yl-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2ccccn2)[nH][nH]1
InChIInChI=1S/C8H7N3O/c12-8-5-7(10-11-8)6-3-1-2-4-9-6/h1-5H,(H2,10,11,12)
InChIKeyVRITVMCJWSVIOD-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.76
Rot. Bonds1

About 5-pyridin-2-yl-1,2-dihydropyrazol-3-one

5-pyridin-2-yl-1,2-dihydropyrazol-3-one (PubChem CID 569035) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-pyridin-2-yl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-pyridin-2-yl-1,2-dihydropyrazol-3-one
PubChem CID569035
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5-pyridin-2-yl-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2ccccn2)[nH][nH]1
InChIInChI=1S/C8H7N3O/c12-8-5-7(10-11-8)6-3-1-2-4-9-6/h1-5H,(H2,10,11,12)
InChIKeyVRITVMCJWSVIOD-UHFFFAOYSA-N
XLogP0.76
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-pyridin-2-yl-1,2-dihydropyrazol-3-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

2-Pyridinecarboxylic acid, 2-acetylhydrazide
CID 28545
6-Methyl-2-(pyridin-2-yl)pyrimidin-4-ol
CID 135472985
Pyridinioacetohydrazide chloride
CID 70773
Picolinohydrazide
CID 255881
Dihydro-benzodipyrazole deriv. 7v
CID 5331051
Caerulomycin H
CID 53484026
6-(Pyridin-4-yl)pyridazin-3(2H)-one
CID 2727612
1,2-Dihydro-1-(2-(2-pyridyl)-ethyl)-3,6-pyridazinedione
CID 265886
6-(Pyridin-2-yl)pyridazin-3-ol
CID 4980022
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
6-Pyridin-2-ylmethyl-pyridazin-3-ol
CID 3580136
1-[(N'-Phenylhydrazinecarbonyl)methyl]pyridin-1-ium chloride
CID 13133475

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-pyridin-2-yl-1,2-dihydropyrazol-3-one (CID 569035) is 5-pyridin-2-yl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-pyridin-2-yl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-pyridin-2-yl-1,2-dihydropyrazol-3-one is O=c1cc(-c2ccccn2)[nH][nH]1.
What is the InChIKey of 5-pyridin-2-yl-1,2-dihydropyrazol-3-one?
The InChIKey is VRITVMCJWSVIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-8-5-7(10-11-8)6-3-1-2-4-9-6/h1-5H,(H2,10,11,12).
What are the key properties of 5-pyridin-2-yl-1,2-dihydropyrazol-3-one?
5-pyridin-2-yl-1,2-dihydropyrazol-3-one has a molecular weight of 161.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 569035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).