3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide

C11H15N3O3S — CID 62525272

IUPAC3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(C)n[nH]c2C)o1
InChIInChI=1S/C11H15N3O3S/c1-7-4-5-10(17-7)6-12-18(15,16)11-8(2)13-14-9(11)3/h4-5,12H,6H2,1-3H3,(H,13,14)
InChIKeyXFWJREFOMBWHQF-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.41
Rot. Bonds4

About 3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 62525272) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID62525272
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(C)n[nH]c2C)o1
InChIInChI=1S/C11H15N3O3S/c1-7-4-5-10(17-7)6-12-18(15,16)11-8(2)13-14-9(11)3/h4-5,12H,6H2,1-3H3,(H,13,14)
InChIKeyXFWJREFOMBWHQF-UHFFFAOYSA-N
XLogP1.41
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64696182
3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61285702
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 107232097
3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61022033
3,5-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110714728
4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081647
3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 82872630
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-[[3-(aminomethyl)phenyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43589440
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091247
3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110660694

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 62525272) is 3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1ccc(CNS(=O)(=O)c2c(C)n[nH]c2C)o1.
What is the InChIKey of 3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is XFWJREFOMBWHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7-4-5-10(17-7)6-12-18(15,16)11-8(2)13-14-9(11)3/h4-5,12H,6H2,1-3H3,(H,13,14).
What are the key properties of 3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 62525272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).