3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol

C6H10N4O — CID 163692782

IUPAC3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol
SMILES[H]/N=C(\C)C1=NNC(O)/C1=N\C
InChIInChI=1S/C6H10N4O/c1-3(7)4-5(8-2)6(11)10-9-4/h6-7,10-11H,1-2H3/b7-3+,8-5-
InChIKeyXCPAEPDWMYJMJC-BYAHITDHSA-N
MW154.17 g/mol
LogP-0.63
Rot. Bonds1

About 3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol

3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol (PubChem CID 163692782) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol.

Molecular Properties

Compound Name3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol
PubChem CID163692782
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol
SMILES[H]/N=C(\C)C1=NNC(O)/C1=N\C
InChIInChI=1S/C6H10N4O/c1-3(7)4-5(8-2)6(11)10-9-4/h6-7,10-11H,1-2H3/b7-3+,8-5-
InChIKeyXCPAEPDWMYJMJC-BYAHITDHSA-N
XLogP-0.63
TPSA80.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-1,4,5,6-tetrahydropyridazin-6-ol
CID 68394048
3-propyl-4,5-dihydro-1H-pyrazol-5-ol
CID 135138749
1-(5-Hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium
CID 163692781

Frequently Asked Questions

What is the IUPAC name of 3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol?
The IUPAC name of 3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol (CID 163692782) is 3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol.
What is the SMILES notation for 3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol?
The canonical SMILES for 3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol is [H]/N=C(\C)C1=NNC(O)/C1=N\C.
What is the InChIKey of 3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol?
The InChIKey is XCPAEPDWMYJMJC-BYAHITDHSA-N. The full InChI is InChI=1S/C6H10N4O/c1-3(7)4-5(8-2)6(11)10-9-4/h6-7,10-11H,1-2H3/b7-3+,8-5-.
What are the key properties of 3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol?
3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol has a molecular weight of 154.17 g/mol, XLogP of -0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol is sourced from PubChem (CID 163692782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).