ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate

C9H10N4O4S2 — CID 60713527

IUPACethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C9H10N4O4S2/c1-2-17-8(14)6-5-11-12-7(6)19(15,16)13-9-10-3-4-18-9/h3-5H,2H2,1H3,(H,10,13)(H,11,12)
InChIKeyVZMFQOBAAWRDNI-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.84
Rot. Bonds5

About ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate

ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate (PubChem CID 60713527) has the molecular formula C9H10N4O4S2 and a molecular weight of 302.34 g/mol. Its IUPAC name is ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
PubChem CID60713527
Molecular FormulaC9H10N4O4S2
Molecular Weight302.34 g/mol
Exact Mass302.01
IUPAC Nameethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C9H10N4O4S2/c1-2-17-8(14)6-5-11-12-7(6)19(15,16)13-9-10-3-4-18-9/h3-5H,2H2,1H3,(H,10,13)(H,11,12)
InChIKeyVZMFQOBAAWRDNI-UHFFFAOYSA-N
XLogP0.84
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 167770732
ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 80708490
ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 103775663
ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 119989814
ethyl 5-[(2-iodophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60712737
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
ethyl 5-(prop-2-ynylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713581
ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 112672393
ethyl 5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713652
ethyl 5-[(2-chloro-4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 27372846

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate (CID 60713527) is ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1nccs1.
What is the InChIKey of ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The InChIKey is VZMFQOBAAWRDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4S2/c1-2-17-8(14)6-5-11-12-7(6)19(15,16)13-9-10-3-4-18-9/h3-5H,2H2,1H3,(H,10,13)(H,11,12).
What are the key properties of ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate has a molecular weight of 302.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 60713527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).