ethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate

C13H17N3O4S2 — CID 51330938

IUPACethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)Cc1sccc1C
InChIInChI=1S/C13H17N3O4S2/c1-4-20-13(17)10-7-14-15-12(10)22(18,19)16(3)8-11-9(2)5-6-21-11/h5-7H,4,8H2,1-3H3,(H,14,15)
InChIKeyFJJZRBAZHLOHTP-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.78
Rot. Bonds6

About ethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 51330938) has the molecular formula C13H17N3O4S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID51330938
Molecular FormulaC13H17N3O4S2
Molecular Weight343.43 g/mol
Exact Mass343.07
IUPAC Nameethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)Cc1sccc1C
InChIInChI=1S/C13H17N3O4S2/c1-4-20-13(17)10-7-14-15-12(10)22(18,19)16(3)8-11-9(2)5-6-21-11/h5-7H,4,8H2,1-3H3,(H,14,15)
InChIKeyFJJZRBAZHLOHTP-UHFFFAOYSA-N
XLogP1.78
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 47265875
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 51330519
ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 47141011
ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 51330478
ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713527
N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 60700177
2-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-5-sulfonamide
CID 61042674
ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 119989814
ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride
CID 119976480
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
ethyl 5-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxylate
CID 75360661

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate (CID 51330938) is ethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)Cc1sccc1C.
What is the InChIKey of ethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is FJJZRBAZHLOHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S2/c1-4-20-13(17)10-7-14-15-12(10)22(18,19)16(3)8-11-9(2)5-6-21-11/h5-7H,4,8H2,1-3H3,(H,14,15).
What are the key properties of ethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 51330938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).