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

C19H19N3O4S — CID 4598746

IUPACethyl 5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-26-19(23)17-13-20-22(15-7-5-4-6-8-15)18(17)21-27(24,25)16-11-9-14(2)10-12-16/h4-13,21H,3H2,1-2H3
InChIKeyJPRDWVZYPGGFFQ-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.16
Rot. Bonds6

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

ethyl 5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate (PubChem CID 4598746) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is ethyl 5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
PubChem CID4598746
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Nameethyl 5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-26-19(23)17-13-20-22(15-7-5-4-6-8-15)18(17)21-27(24,25)16-11-9-14(2)10-12-16/h4-13,21H,3H2,1-2H3
InChIKeyJPRDWVZYPGGFFQ-UHFFFAOYSA-N
XLogP3.16
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
CID 85270
ethyl 5-amino-1-(3,5-dimethylphenyl)-1H-pyrazole-4-carboxylate
CID 2111481
Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate
CID 703785
N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57399909
N-hexan-3-yl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392882
Ethyl 5-[bis[(4-nitrophenyl)sulfonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 155520406
N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392871
N-cyclohexyl-N-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392872
N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57394598
5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
CID 57399796
ethyl 5-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate
CID 13802152
5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
CID 57391103

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate (CID 4598746) is ethyl 5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is JPRDWVZYPGGFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-26-19(23)17-13-20-22(15-7-5-4-6-8-15)18(17)21-27(24,25)16-11-9-14(2)10-12-16/h4-13,21H,3H2,1-2H3.
What are the key properties of ethyl 5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 385.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 4598746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).