4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one

C10H15N3O2 — CID 137218438

IUPAC4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one
SMILESCC1=NNC(=O)C1=NOC1CCCCC1
InChIInChI=1S/C10H15N3O2/c1-7-9(10(14)12-11-7)13-15-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,12,13,14)
InChIKeyGUUDIMYVIYFXHQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.20
Rot. Bonds2

About 4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one

4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one (PubChem CID 137218438) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one
PubChem CID137218438
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one
SMILESCC1=NNC(=O)C1=NOC1CCCCC1
InChIInChI=1S/C10H15N3O2/c1-7-9(10(14)12-11-7)13-15-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,12,13,14)
InChIKeyGUUDIMYVIYFXHQ-UHFFFAOYSA-N
XLogP1.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one?
The IUPAC name of 4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one (CID 137218438) is 4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one.
What is the SMILES notation for 4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one?
The canonical SMILES for 4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one is CC1=NNC(=O)C1=NOC1CCCCC1.
What is the InChIKey of 4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one?
The InChIKey is GUUDIMYVIYFXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-9(10(14)12-11-7)13-15-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one?
4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one has a molecular weight of 209.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxyimino-3-methyl-1H-pyrazol-5-one is sourced from PubChem (CID 137218438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).