3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide

C11H17N5O2S — CID 9115356

IUPAC3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H17N5O2S/c1-6-10(9(4)16(5)14-6)15-19(17,18)11-7(2)12-13-8(11)3/h15H,1-5H3,(H,12,13)
InChIKeySQMHDCHIKCVVBH-UHFFFAOYSA-N
MW283.36 g/mol
LogP1.18
Rot. Bonds3

About 3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 9115356) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID9115356
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H17N5O2S/c1-6-10(9(4)16(5)14-6)15-19(17,18)11-7(2)12-13-8(11)3/h15H,1-5H3,(H,12,13)
InChIKeySQMHDCHIKCVVBH-UHFFFAOYSA-N
XLogP1.18
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide (CID 9115356) is 3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is SQMHDCHIKCVVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-6-10(9(4)16(5)14-6)15-19(17,18)11-7(2)12-13-8(11)3/h15H,1-5H3,(H,12,13).
What are the key properties of 3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 283.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 9115356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).