2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid

C10H11N3O5S — CID 61393805

IUPAC2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)Nc2ccn[nH]2)c1C(=O)O
InChIInChI=1S/C10H11N3O5S/c1-5-8(10(14)15)9(6(2)18-5)19(16,17)13-7-3-4-11-12-7/h3-4H,1-2H3,(H,14,15)(H2,11,12,13)
InChIKeyNNGFAYBKNAGJNK-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.12
Rot. Bonds4

About 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid

2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid (PubChem CID 61393805) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid
PubChem CID61393805
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)Nc2ccn[nH]2)c1C(=O)O
InChIInChI=1S/C10H11N3O5S/c1-5-8(10(14)15)9(6(2)18-5)19(16,17)13-7-3-4-11-12-7/h3-4H,1-2H3,(H,14,15)(H2,11,12,13)
InChIKeyNNGFAYBKNAGJNK-UHFFFAOYSA-N
XLogP1.12
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid (CID 61393805) is 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)Nc2ccn[nH]2)c1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid?
The InChIKey is NNGFAYBKNAGJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c1-5-8(10(14)15)9(6(2)18-5)19(16,17)13-7-3-4-11-12-7/h3-4H,1-2H3,(H,14,15)(H2,11,12,13).
What are the key properties of 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid?
2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 61393805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).