N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide

C13H14N6O2S — CID 71688053

IUPACN-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCCn1ccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)n1
InChIInChI=1S/C13H14N6O2S/c1-2-18-8-6-12(16-18)17-22(20,21)11-9-15-19(10-11)13-5-3-4-7-14-13/h3-10H,2H2,1H3,(H,16,17)
InChIKeyYVOVBFREMKLUCY-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.28
Rot. Bonds5

About N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide

N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide (PubChem CID 71688053) has the molecular formula C13H14N6O2S and a molecular weight of 318.36 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide
PubChem CID71688053
Molecular FormulaC13H14N6O2S
Molecular Weight318.36 g/mol
Exact Mass318.09
IUPAC NameN-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESCCn1ccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)n1
InChIInChI=1S/C13H14N6O2S/c1-2-18-8-6-12(16-18)17-22(20,21)11-9-15-19(10-11)13-5-3-4-7-14-13/h3-10H,2H2,1H3,(H,16,17)
InChIKeyYVOVBFREMKLUCY-UHFFFAOYSA-N
XLogP1.28
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-fluorophenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688101
N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688094
N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688083
1-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-4-sulfonamide
CID 22206862
N-(3-fluorophenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688105
N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 54857001
N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 95738742
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide
CID 22206959
4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
CID 22209166
N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688116
N-[(5-methylfuran-2-yl)methyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688165
N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 171133561

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide (CID 71688053) is N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide is CCn1ccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
The InChIKey is YVOVBFREMKLUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2S/c1-2-18-8-6-12(16-18)17-22(20,21)11-9-15-19(10-11)13-5-3-4-7-14-13/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide has a molecular weight of 318.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).