ethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate

C19H20N4O4S — CID 3492061

IUPACethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C19H20N4O4S/c1-3-27-19(24)16-17(20)23(14-7-5-4-6-8-14)21-18(16)22-28(25,26)15-11-9-13(2)10-12-15/h4-12H,3,20H2,1-2H3,(H,21,22)
InChIKeyRDQHLECTXAJUOE-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.74
Rot. Bonds6

About ethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate

ethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate (PubChem CID 3492061) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is ethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
PubChem CID3492061
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Nameethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C19H20N4O4S/c1-3-27-19(24)16-17(20)23(14-7-5-4-6-8-14)21-18(16)22-28(25,26)15-11-9-13(2)10-12-15/h4-12H,3,20H2,1-2H3,(H,21,22)
InChIKeyRDQHLECTXAJUOE-UHFFFAOYSA-N
XLogP2.74
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-(benzylamino)-3-methyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrazole-4-carboxylate
CID 986233
Ethyl 5-amino-1-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxylate
CID 12517949
2-Ethoxyethyl 5-amino-1-(4-methylphenyl)-3-methylsulfanylpyrazole-4-carboxylate
CID 44573934
Ethyl 5-[(3-chloro-2-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
CID 172438431
Ethyl 3,5-dimethyl-1-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]pyrazole-4-carboxylate
CID 2741910
Ethyl 5-[(4-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
CID 4342183
Ethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
CID 171777323
Ethyl 1-(4-fluorophenyl)-5-[(3-methylphenyl)sulfonylamino]pyrazole-4-carboxylate
CID 171777325
Ethyl 1-(4-fluorophenyl)-5-[(3-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate
CID 171777331
Ethyl 1-(4-fluorophenyl)-5-[(2-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate
CID 171777335
Ethyl 5-(benzenesulfonamido)-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 171777336
Ethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate
CID 171777340

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate (CID 3492061) is ethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)nn(-c2ccccc2)c1N.
What is the InChIKey of ethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is RDQHLECTXAJUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-3-27-19(24)16-17(20)23(14-7-5-4-6-8-14)21-18(16)22-28(25,26)15-11-9-13(2)10-12-15/h4-12H,3,20H2,1-2H3,(H,21,22).
What are the key properties of ethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 400.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 3492061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).