4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one

C9H10N4O2 — CID 118538570

IUPAC4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one
SMILESCC1(NO)C(=O)NN=C1c1ccncc1
InChIInChI=1S/C9H10N4O2/c1-9(13-15)7(11-12-8(9)14)6-2-4-10-5-3-6/h2-5,13,15H,1H3,(H,12,14)
InChIKeyFTUBXDXHSWQYSJ-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.35
Rot. Bonds2

About 4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one

4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one (PubChem CID 118538570) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one
PubChem CID118538570
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one
SMILESCC1(NO)C(=O)NN=C1c1ccncc1
InChIInChI=1S/C9H10N4O2/c1-9(13-15)7(11-12-8(9)14)6-2-4-10-5-3-6/h2-5,13,15H,1H3,(H,12,14)
InChIKeyFTUBXDXHSWQYSJ-UHFFFAOYSA-N
XLogP-0.35
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one?
The IUPAC name of 4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one (CID 118538570) is 4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one.
What is the SMILES notation for 4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one?
The canonical SMILES for 4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one is CC1(NO)C(=O)NN=C1c1ccncc1.
What is the InChIKey of 4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one?
The InChIKey is FTUBXDXHSWQYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-9(13-15)7(11-12-8(9)14)6-2-4-10-5-3-6/h2-5,13,15H,1H3,(H,12,14).
What are the key properties of 4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one?
4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one has a molecular weight of 206.21 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyamino)-4-methyl-3-pyridin-4-yl-1H-pyrazol-5-one is sourced from PubChem (CID 118538570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).