ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate

C12H22N4O4S — CID 119989814

IUPACethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCC(N)(CC)CC
InChIInChI=1S/C12H22N4O4S/c1-4-12(13,5-2)8-15-21(18,19)10-9(7-14-16-10)11(17)20-6-3/h7,15H,4-6,8,13H2,1-3H3,(H,14,16)
InChIKeySQDCFDQNYPEMME-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.38
Rot. Bonds8

About ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 119989814) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID119989814
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC Nameethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCC(N)(CC)CC
InChIInChI=1S/C12H22N4O4S/c1-4-12(13,5-2)8-15-21(18,19)10-9(7-14-16-10)11(17)20-6-3/h7,15H,4-6,8,13H2,1-3H3,(H,14,16)
InChIKeySQDCFDQNYPEMME-UHFFFAOYSA-N
XLogP0.38
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(prop-2-ynylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713581
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
ethyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride
CID 119981227
ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 171146060
ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 61403878
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-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-cyclopropylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 103835883
ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713527

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate (CID 119989814) is ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NCC(N)(CC)CC.
What is the InChIKey of ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is SQDCFDQNYPEMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S/c1-4-12(13,5-2)8-15-21(18,19)10-9(7-14-16-10)11(17)20-6-3/h7,15H,4-6,8,13H2,1-3H3,(H,14,16).
What are the key properties of ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 318.40 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 119989814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).