4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one

C8H8N4O — CID 82410928

IUPAC4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one
SMILESNC1C(=O)NN=C1c1ccccn1
InChIInChI=1S/C8H8N4O/c9-6-7(11-12-8(6)13)5-3-1-2-4-10-5/h1-4,6H,9H2,(H,12,13)
InChIKeyFQSXVDCUKUPMTG-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.76
Rot. Bonds1

About 4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one

4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one (PubChem CID 82410928) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one
PubChem CID82410928
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one
SMILESNC1C(=O)NN=C1c1ccccn1
InChIInChI=1S/C8H8N4O/c9-6-7(11-12-8(6)13)5-3-1-2-4-10-5/h1-4,6H,9H2,(H,12,13)
InChIKeyFQSXVDCUKUPMTG-UHFFFAOYSA-N
XLogP-0.76
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 15586394
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CID 59592020
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one
CID 106953112
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
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CID 66934182

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one?
The IUPAC name of 4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one (CID 82410928) is 4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one is NC1C(=O)NN=C1c1ccccn1.
What is the InChIKey of 4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one?
The InChIKey is FQSXVDCUKUPMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-6-7(11-12-8(6)13)5-3-1-2-4-10-5/h1-4,6H,9H2,(H,12,13).
What are the key properties of 4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one?
4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one has a molecular weight of 176.18 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-pyridin-2-yl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 82410928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).