ethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate

C9H16N4O4S — CID 18339357

IUPACethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate
SMILESCCOC(=O)n1nc(C)cc1NS(=O)(=O)N(C)C
InChIInChI=1S/C9H16N4O4S/c1-5-17-9(14)13-8(6-7(2)10-13)11-18(15,16)12(3)4/h6,11H,5H2,1-4H3
InChIKeyHEERLWXWBHUKOM-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.41
Rot. Bonds4

About ethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate

ethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate (PubChem CID 18339357) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is ethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate
PubChem CID18339357
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC Nameethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate
SMILESCCOC(=O)n1nc(C)cc1NS(=O)(=O)N(C)C
InChIInChI=1S/C9H16N4O4S/c1-5-17-9(14)13-8(6-7(2)10-13)11-18(15,16)12(3)4/h6,11H,5H2,1-4H3
InChIKeyHEERLWXWBHUKOM-UHFFFAOYSA-N
XLogP0.41
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 5-amino-3-methyl-1H-pyrazole-1-carboxylate
CID 56972293
tert-butyl 3-amino-5-methyl-1H-pyrazole-1-carboxylate
CID 11321537
2,2,2-trifluoroethyl N-(1,5-dimethyl-1H-pyrazol-3-yl)carbamate
CID 129912647
2,2,2-trifluoroethyl N-(1,3-dimethyl-1H-pyrazol-5-yl)carbamate
CID 45792150
(2,5-dimethyl-2H-pyrazol-3-yl)-carbamic acid tert-butyl ester
CID 107860321
Ethyl 3-amino-5-methylpyrazole-1-carboxylate
CID 141165599
Butyl 3-amino-5-methylpyrazole-1-carboxylate
CID 142556558
(5-Amino-3-methylpyrazol-1-yl)methyl acetate
CID 152389878
tert-butyl 3-methyl-5-[[(E)-1-(methylamino)prop-1-enyl]amino]pyrazole-1-carboxylate
CID 166928306
tert-butyl 5-[(N,N'-dimethylcarbamimidoyl)amino]-3-methylpyrazole-1-carboxylate
CID 170063713
ethyl (NE)-N-[amino-(5-amino-3-methylpyrazol-1-yl)methylidene]carbamate
CID 12210231
Methyl 3-[(2,5-dimethylpyrazol-3-yl)sulfamoyl-methylamino]propanoate
CID 65684294

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate?
The IUPAC name of ethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate (CID 18339357) is ethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate?
The canonical SMILES for ethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate is CCOC(=O)n1nc(C)cc1NS(=O)(=O)N(C)C.
What is the InChIKey of ethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate?
The InChIKey is HEERLWXWBHUKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S/c1-5-17-9(14)13-8(6-7(2)10-13)11-18(15,16)12(3)4/h6,11H,5H2,1-4H3.
What are the key properties of ethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate?
ethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate has a molecular weight of 276.32 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate is sourced from PubChem (CID 18339357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).