ethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate

C15H18N4O5S — CID 3073081

IUPACethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1S(=O)(=O)NN=Cc1ccc(OC)cc1
InChIInChI=1S/C15H18N4O5S/c1-4-24-15(20)13-10-19(2)17-14(13)25(21,22)18-16-9-11-5-7-12(23-3)8-6-11/h5-10,18H,4H2,1-3H3
InChIKeyOUEWYSUXQHMKOK-UHFFFAOYSA-N
MW366.40 g/mol
LogP0.92
Rot. Bonds7

About ethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate

ethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate (PubChem CID 3073081) has the molecular formula C15H18N4O5S and a molecular weight of 366.40 g/mol. Its IUPAC name is ethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate
PubChem CID3073081
Molecular FormulaC15H18N4O5S
Molecular Weight366.40 g/mol
Exact Mass366.10
IUPAC Nameethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1S(=O)(=O)NN=Cc1ccc(OC)cc1
InChIInChI=1S/C15H18N4O5S/c1-4-24-15(20)13-10-19(2)17-14(13)25(21,22)18-16-9-11-5-7-12(23-3)8-6-11/h5-10,18H,4H2,1-3H3
InChIKeyOUEWYSUXQHMKOK-UHFFFAOYSA-N
XLogP0.92
TPSA111.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(E)-(4-methoxyphenyl)methylideneamino] 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate
CID 165177286
N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide
CID 5454922
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 4-[[2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 21211618
4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide
CID 17338078
ethyl 5-amino-4-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]-3-methylthiophene-2-carboxylate
CID 44579262
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
[4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] methanesulfonate
CID 134122547
N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide
CID 5115674
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
ethyl 3-bromo-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 138506113
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate (CID 3073081) is ethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cn(C)nc1S(=O)(=O)NN=Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is OUEWYSUXQHMKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S/c1-4-24-15(20)13-10-19(2)17-14(13)25(21,22)18-16-9-11-5-7-12(23-3)8-6-11/h5-10,18H,4H2,1-3H3.
What are the key properties of ethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate?
ethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(4-methoxyphenyl)methylideneamino]sulfamoyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 3073081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).