ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate

C16H21N3O5S — CID 3426999

IUPACethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1NS(=O)(=O)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C16H21N3O5S/c1-6-24-16(20)12-8-17-18-15(12)19-25(21,22)14-9(2)7-13(23-5)10(3)11(14)4/h7-8H,6H2,1-5H3,(H2,17,18,19)
InChIKeyDRLHYBNPXIVOJZ-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.32
Rot. Bonds6

About ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate

ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate (PubChem CID 3426999) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate
PubChem CID3426999
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Nameethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1NS(=O)(=O)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C16H21N3O5S/c1-6-24-16(20)12-8-17-18-15(12)19-25(21,22)14-9(2)7-13(23-5)10(3)11(14)4/h7-8H,6H2,1-5H3,(H2,17,18,19)
InChIKeyDRLHYBNPXIVOJZ-UHFFFAOYSA-N
XLogP2.32
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]propanedioate
CID 3860519
ethyl 5-[(8-chloronaphthalen-1-yl)sulfonylamino]-1H-pyrazole-4-carboxylate
CID 3774578
ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate
CID 25044869
methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 102931590
ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate
CID 170744696
ethyl 6-methoxy-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 139542716
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3701047
ethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate
CID 110471741
3-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-3-oxopropanoic acid
CID 110480106
ethyl 5-[(2-chloro-4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 27372846
ethyl 5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713652
ethyl 5-[(2-amino-2-methylpropanoyl)amino]-1H-pyrazole-4-carboxylate
CID 110479995

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate (CID 3426999) is ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1NS(=O)(=O)c1c(C)cc(OC)c(C)c1C.
What is the InChIKey of ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate?
The InChIKey is DRLHYBNPXIVOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-6-24-16(20)12-8-17-18-15(12)19-25(21,22)14-9(2)7-13(23-5)10(3)11(14)4/h7-8H,6H2,1-5H3,(H2,17,18,19).
What are the key properties of ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate?
ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate has a molecular weight of 367.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 3426999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).