ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate

C11H13N3O4S2 — CID 108782501

IUPACethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NS(=O)(=O)c1cccs1
InChIInChI=1S/C11H13N3O4S2/c1-3-18-11(15)8-7-12-14(2)10(8)13-20(16,17)9-5-4-6-19-9/h4-7,13H,3H2,1-2H3
InChIKeyKEEVZMRNOSQIIT-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.46
Rot. Bonds5

About ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate

ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate (PubChem CID 108782501) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate
PubChem CID108782501
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Nameethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NS(=O)(=O)c1cccs1
InChIInChI=1S/C11H13N3O4S2/c1-3-18-11(15)8-7-12-14(2)10(8)13-20(16,17)9-5-4-6-19-9/h4-7,13H,3H2,1-2H3
InChIKeyKEEVZMRNOSQIIT-UHFFFAOYSA-N
XLogP1.46
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-1-methylpyrazole-4-carboxylate
CID 108782504
ethyl 2-(thiophen-2-ylsulfonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84564229
butyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 18157559
ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate
CID 116631787
ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110460718
ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110480553
ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
CID 113029334
ethyl 5-[(2-iodobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761486
ethyl 5-(3,3-diphenylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 108738872
(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620159
ethyl 1-methyl-5-methylsulfonylpyrazole-4-carboxylate
CID 58486417
ethyl 5-[(4-methoxyphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
CID 5065328

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate (CID 108782501) is ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NS(=O)(=O)c1cccs1.
What is the InChIKey of ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate?
The InChIKey is KEEVZMRNOSQIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-3-18-11(15)8-7-12-14(2)10(8)13-20(16,17)9-5-4-6-19-9/h4-7,13H,3H2,1-2H3.
What are the key properties of ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate?
ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate has a molecular weight of 315.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate is sourced from PubChem (CID 108782501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).