2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate

C18H18N4O4 — CID 47069511

IUPAC2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
SMILESO=C(OCCn1cccn1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C18H18N4O4/c23-17-8-7-16(18(24)26-13-11-21-10-4-9-19-21)20-22(17)12-14-25-15-5-2-1-3-6-15/h1-10H,11-14H2
InChIKeySVPIWDWSJPYUCG-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.38
Rot. Bonds8

About 2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate

2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate (PubChem CID 47069511) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate.

Molecular Properties

Compound Name2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
PubChem CID47069511
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
SMILESO=C(OCCn1cccn1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C18H18N4O4/c23-17-8-7-16(18(24)26-13-11-21-10-4-9-19-21)20-22(17)12-14-25-15-5-2-1-3-6-15/h1-10H,11-14H2
InChIKeySVPIWDWSJPYUCG-UHFFFAOYSA-N
XLogP1.38
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
[2-(N-ethylanilino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46628831
(2,4,6-trichlorophenyl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32615981
[2-(4-tert-butylanilino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 27426793
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
2-(2-phenoxyethyl)pyridazin-3-one
CID 176899084
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
(4-acetamidophenyl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46552248
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46628786
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32614789
[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 41489883

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
The IUPAC name of 2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate (CID 47069511) is 2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate.
What is the SMILES notation for 2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
The canonical SMILES for 2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate is O=C(OCCn1cccn1)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of 2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
The InChIKey is SVPIWDWSJPYUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-17-8-7-16(18(24)26-13-11-21-10-4-9-19-21)20-22(17)12-14-25-15-5-2-1-3-6-15/h1-10H,11-14H2.
What are the key properties of 2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate has a molecular weight of 354.37 g/mol, XLogP of 1.38, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate is sourced from PubChem (CID 47069511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).