ethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide

C6H11N3O7S2 — CID 174941525

IUPACethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1.O=S(=O)(O)CCS(=O)(=O)O
InChIInChI=1S/C4H5N3O.C2H6O6S2/c5-4(8)3-1-6-7-2-3;3-9(4,5)1-2-10(6,7)8/h1-2H,(H2,5,8)(H,6,7);1-2H2,(H,3,4,5)(H,6,7,8)
InChIKeyWRNBFDINJWICRS-UHFFFAOYSA-N
MW301.30 g/mol
LogP-1.73
Rot. Bonds4

About ethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide

ethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide (PubChem CID 174941525) has the molecular formula C6H11N3O7S2 and a molecular weight of 301.30 g/mol. Its IUPAC name is ethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Nameethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide
PubChem CID174941525
Molecular FormulaC6H11N3O7S2
Molecular Weight301.30 g/mol
Exact Mass301.00
IUPAC Nameethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1.O=S(=O)(O)CCS(=O)(=O)O
InChIInChI=1S/C4H5N3O.C2H6O6S2/c5-4(8)3-1-6-7-2-3;3-9(4,5)1-2-10(6,7)8/h1-2H,(H2,5,8)(H,6,7);1-2H2,(H,3,4,5)(H,6,7,8)
InChIKeyWRNBFDINJWICRS-UHFFFAOYSA-N
XLogP-1.73
TPSA180.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1H-pyrazole-4-carboxamide;sulfuric acid
CID 157194164
methanesulfonic acid;1H-pyrazole-4-carboxamide
CID 161994591
oxo(1H-pyrazol-4-yl)methanesulfonamide
CID 174747730
1H-pyrazole-4-carboxamide;hydrate
CID 174954377
1-(Methanesulfonamido)pyrazole-4-carboxamide
CID 176313840
N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide
CID 43582888
N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide
CID 60920389
N-(3-sulfamoylpropyl)-1H-pyrazole-4-carboxamide
CID 61150925
N-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-4-carboxamide
CID 78924770
N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-carboxamide
CID 102685056
N-ethylsulfonyl-1H-pyrazole-4-carboxamide
CID 130877587
N-(ethyl-methyl-oxo-lambda6-sulfanylidene)-1H-pyrazole-4-carboxamide
CID 130935160

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide?
The IUPAC name of ethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide (CID 174941525) is ethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide.
What is the SMILES notation for ethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide?
The canonical SMILES for ethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1.O=S(=O)(O)CCS(=O)(=O)O.
What is the InChIKey of ethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide?
The InChIKey is WRNBFDINJWICRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.C2H6O6S2/c5-4(8)3-1-6-7-2-3;3-9(4,5)1-2-10(6,7)8/h1-2H,(H2,5,8)(H,6,7);1-2H2,(H,3,4,5)(H,6,7,8).
What are the key properties of ethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide?
ethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide has a molecular weight of 301.30 g/mol, XLogP of -1.73, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-disulfonic acid;1H-pyrazole-4-carboxamide is sourced from PubChem (CID 174941525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).