N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide

C11H15N3O3S — CID 75445353

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2n[nH]c(C)c2C)c(C)o1
InChIInChI=1S/C11H15N3O3S/c1-6-5-10(9(4)17-6)18(15,16)14-11-7(2)8(3)12-13-11/h5H,1-4H3,(H2,12,13,14)
InChIKeyMKXWPMJXVFKZTN-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.04
Rot. Bonds3

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide (PubChem CID 75445353) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide
PubChem CID75445353
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2n[nH]c(C)c2C)c(C)o1
InChIInChI=1S/C11H15N3O3S/c1-6-5-10(9(4)17-6)18(15,16)14-11-7(2)8(3)12-13-11/h5H,1-4H3,(H2,12,13,14)
InChIKeyMKXWPMJXVFKZTN-UHFFFAOYSA-N
XLogP2.04
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-butyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide
CID 126766267
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61832574
3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 62525272
5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 63821150
5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 63822065
methyl 2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylate
CID 63822073
2,5-dimethyl-4-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]furan-3-carboxylic acid
CID 63823156
4-(aminomethyl)-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 65784174
2,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]furan-3-sulfonamide
CID 75400905
4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 104617452
5-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 104617466
5-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 104617496

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide (CID 75445353) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2n[nH]c(C)c2C)c(C)o1.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is MKXWPMJXVFKZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-6-5-10(9(4)17-6)18(15,16)14-11-7(2)8(3)12-13-11/h5H,1-4H3,(H2,12,13,14).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 75445353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).