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

C9H13N5O2S — CID 47267596

IUPACN-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H13N5O2S/c1-6-9(7(2)14(3)12-6)13-17(15,16)8-4-10-11-5-8/h4-5,13H,1-3H3,(H,10,11)
InChIKeyYXFBWQABANTLBA-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.56
Rot. Bonds3

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

N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 47267596) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID47267596
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC NameN-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H13N5O2S/c1-6-9(7(2)14(3)12-6)13-17(15,16)8-4-10-11-5-8/h4-5,13H,1-3H3,(H,10,11)
InChIKeyYXFBWQABANTLBA-UHFFFAOYSA-N
XLogP0.56
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide (CID 47267596) is N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is YXFBWQABANTLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-6-9(7(2)14(3)12-6)13-17(15,16)8-4-10-11-5-8/h4-5,13H,1-3H3,(H,10,11).
What are the key properties of N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide?
N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 255.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).