5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid

C12H15N3O5S — CID 61024311

IUPAC5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C12H15N3O5S/c1-6-11(7(2)15-14-6)21(18,19)13-5-9-4-10(12(16)17)8(3)20-9/h4,13H,5H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyHITASGCBLBYFJL-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.10
Rot. Bonds5

About 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 61024311) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID61024311
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C12H15N3O5S/c1-6-11(7(2)15-14-6)21(18,19)13-5-9-4-10(12(16)17)8(3)20-9/h4,13H,5H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyHITASGCBLBYFJL-UHFFFAOYSA-N
XLogP1.10
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 61024311) is 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1n[nH]c(C)c1S(=O)(=O)NCc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is HITASGCBLBYFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-6-11(7(2)15-14-6)21(18,19)13-5-9-4-10(12(16)17)8(3)20-9/h4,13H,5H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 313.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 61024311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).