N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide

C13H16N4O2S — CID 54857001

IUPACN-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCC1)c1cnn(-c2ccccn2)c1
InChIInChI=1S/C13H16N4O2S/c18-20(19,16-8-11-4-3-5-11)12-9-15-17(10-12)13-6-1-2-7-14-13/h1-2,6-7,9-11,16H,3-5,8H2
InChIKeyUZWRFXQLZOZTDR-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.35
Rot. Bonds5

About N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide

N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide (PubChem CID 54857001) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
PubChem CID54857001
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCC1)c1cnn(-c2ccccn2)c1
InChIInChI=1S/C13H16N4O2S/c18-20(19,16-8-11-4-3-5-11)12-9-15-17(10-12)13-6-1-2-7-14-13/h1-2,6-7,9-11,16H,3-5,8H2
InChIKeyUZWRFXQLZOZTDR-UHFFFAOYSA-N
XLogP1.35
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 171133561
N-[(5-methylfuran-2-yl)methyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688165
N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
N-(2-fluorophenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688101
N-(3-fluorophenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688105
N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688094
N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688053
N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 95738742
N-(2,4-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688083
N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688116
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
3-amino-N-(cyclobutylmethyl)pyridine-2-sulfonamide
CID 103304498

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide (CID 54857001) is N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide is O=S(=O)(NCC1CCC1)c1cnn(-c2ccccn2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
The InChIKey is UZWRFXQLZOZTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c18-20(19,16-8-11-4-3-5-11)12-9-15-17(10-12)13-6-1-2-7-14-13/h1-2,6-7,9-11,16H,3-5,8H2.
What are the key properties of N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide?
N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-pyridin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 54857001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).