ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate

C14H17N3O4S — CID 171146060

IUPACethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1ccc(C)cc1
InChIInChI=1S/C14H17N3O4S/c1-3-21-14(18)12-9-15-17-13(12)22(19,20)16-8-11-6-4-10(2)5-7-11/h4-7,9,16H,3,8H2,1-2H3,(H,15,17)
InChIKeyHPUGAWWBFCDVRW-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.37
Rot. Bonds6

About ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 171146060) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID171146060
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Nameethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1ccc(C)cc1
InChIInChI=1S/C14H17N3O4S/c1-3-21-14(18)12-9-15-17-13(12)22(19,20)16-8-11-6-4-10(2)5-7-11/h4-7,9,16H,3,8H2,1-2H3,(H,15,17)
InChIKeyHPUGAWWBFCDVRW-UHFFFAOYSA-N
XLogP1.37
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-(prop-2-ynylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713581
ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 119989814
ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 61403878
ethyl 5-[(2-chloro-4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 27372846
5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114331344
ethyl 5-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 63967060
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 112672393
ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 119977041
ethyl 5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713652

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate (CID 171146060) is ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NCc1ccc(C)cc1.
What is the InChIKey of ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is HPUGAWWBFCDVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-3-21-14(18)12-9-15-17-13(12)22(19,20)16-8-11-6-4-10(2)5-7-11/h4-7,9,16H,3,8H2,1-2H3,(H,15,17).
What are the key properties of ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 323.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 171146060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).