ethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate

C18H15F2N3O4S — CID 171777340

IUPACethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(F)cc2)c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15F2N3O4S/c1-2-27-18(24)16-11-21-23(14-7-3-12(19)4-8-14)17(16)22-28(25,26)15-9-5-13(20)6-10-15/h3-11,22H,2H2,1H3
InChIKeyOIFRBCRZXQEMKR-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.13
Rot. Bonds6

About ethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate

ethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate (PubChem CID 171777340) has the molecular formula C18H15F2N3O4S and a molecular weight of 407.40 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate
PubChem CID171777340
Molecular FormulaC18H15F2N3O4S
Molecular Weight407.40 g/mol
Exact Mass407.08
IUPAC Nameethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(F)cc2)c1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15F2N3O4S/c1-2-27-18(24)16-11-21-23(14-7-3-12(19)4-8-14)17(16)22-28(25,26)15-9-5-13(20)6-10-15/h3-11,22H,2H2,1H3
InChIKeyOIFRBCRZXQEMKR-UHFFFAOYSA-N
XLogP3.13
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate (CID 171777340) is ethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(F)cc2)c1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate?
The InChIKey is OIFRBCRZXQEMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O4S/c1-2-27-18(24)16-11-21-23(14-7-3-12(19)4-8-14)17(16)22-28(25,26)15-9-5-13(20)6-10-15/h3-11,22H,2H2,1H3.
What are the key properties of ethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate?
ethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate has a molecular weight of 407.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)-5-[(4-fluorophenyl)sulfonylamino]pyrazole-4-carboxylate is sourced from PubChem (CID 171777340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).