4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide

C15H15N5O — CID 116801498

IUPAC4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1Oc1cnn(CC)c1
InChIInChI=1S/C15H15N5O/c1-2-20-9-10(7-19-20)21-14-11-5-3-4-6-13(11)18-8-12(14)15(16)17/h3-9H,2H2,1H3,(H3,16,17)
InChIKeyFNZGLRSNAQMJJR-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.53
Rot. Bonds4

About 4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide

4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide (PubChem CID 116801498) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide
PubChem CID116801498
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1Oc1cnn(CC)c1
InChIInChI=1S/C15H15N5O/c1-2-20-9-10(7-19-20)21-14-11-5-3-4-6-13(11)18-8-12(14)15(16)17/h3-9H,2H2,1H3,(H3,16,17)
InChIKeyFNZGLRSNAQMJJR-UHFFFAOYSA-N
XLogP2.53
TPSA89.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide
CID 61104595
2-(1-ethylpyrazol-4-yl)oxypyridine-4-carboximidamide
CID 116801525
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114893388
4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide
CID 43669871
[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol
CID 106768860
4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide
CID 43669816
4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114904944
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801547
4-(oxan-4-yloxy)quinoline-3-carboximidamide
CID 61287792
[4-(1-ethylpyrazol-4-yl)oxyquinazolin-2-yl]hydrazine
CID 116806830
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801587
4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide
CID 43669845

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide (CID 116801498) is 4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide is [H]/N=C(\N)c1cnc2ccccc2c1Oc1cnn(CC)c1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide?
The InChIKey is FNZGLRSNAQMJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-20-9-10(7-19-20)21-14-11-5-3-4-6-13(11)18-8-12(14)15(16)17/h3-9H,2H2,1H3,(H3,16,17).
What are the key properties of 4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide?
4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide has a molecular weight of 281.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide is sourced from PubChem (CID 116801498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).