methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate

C12H15N3O5S — CID 63822073

IUPACmethyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C12H15N3O5S/c1-6-5-9(14-13-6)15-21(17,18)11-8(3)20-7(2)10(11)12(16)19-4/h5H,1-4H3,(H2,13,14,15)
InChIKeyRCYQNSHOZZCQKS-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.52
Rot. Bonds4

About methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate

methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate (PubChem CID 63822073) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate
PubChem CID63822073
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Namemethyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C12H15N3O5S/c1-6-5-9(14-13-6)15-21(17,18)11-8(3)20-7(2)10(11)12(16)19-4/h5H,1-4H3,(H2,13,14,15)
InChIKeyRCYQNSHOZZCQKS-UHFFFAOYSA-N
XLogP1.52
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate with MolForge

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Related Compounds

N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide
CID 126766267
methyl 2,5-dimethyl-4-[propyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]sulfamoyl]furan-3-carboxylate
CID 99800547
4-[(2,5-Dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43319909
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43547661
2,5-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-3-carboxylic acid
CID 61004291
5-[[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024311
2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylic acid
CID 61283531
methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)furan-3-carboxylate
CID 61285917
2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylic acid
CID 61393805
methyl 2,5-dimethyl-4-(1H-pyrazol-5-ylsulfamoyl)furan-3-carboxylate
CID 61394118
2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid
CID 63823156
2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide
CID 75400905

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate (CID 63822073) is methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(C)[nH]n1.
What is the InChIKey of methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate?
The InChIKey is RCYQNSHOZZCQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-6-5-9(14-13-6)15-21(17,18)11-8(3)20-7(2)10(11)12(16)19-4/h5H,1-4H3,(H2,13,14,15).
What are the key properties of methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate?
methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate has a molecular weight of 313.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 63822073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).