N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide

C13H15N5O2S — CID 106598332

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2cccnc2C#N)n[nH]1
InChIInChI=1S/C13H15N5O2S/c1-13(2,3)11-7-12(17-16-11)18-21(19,20)10-5-4-6-15-9(10)8-14/h4-7H,1-3H3,(H2,16,17,18)
InChIKeyRPCAJRNYEFMXFM-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.77
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide (PubChem CID 106598332) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide
PubChem CID106598332
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2cccnc2C#N)n[nH]1
InChIInChI=1S/C13H15N5O2S/c1-13(2,3)11-7-12(17-16-11)18-21(19,20)10-5-4-6-15-9(10)8-14/h4-7H,1-3H3,(H2,16,17,18)
InChIKeyRPCAJRNYEFMXFM-UHFFFAOYSA-N
XLogP1.77
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-cyano-5-(neopentylamino)-3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine-3-sulfonamide
CID 44406358
6-(4-cyano-3-(difluoromethyl)-5-(neopentylamino)-1H-pyrazol-1-yl)pyridine-3-sulfonamide
CID 44406356
4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-3-sulfonamide
CID 54583453
[(1,3-Dimethylpyrazol-4-yl)sulfonyl]-2-pyridylamine
CID 17375852
3,5-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-4-sulfonohydrazide
CID 45840750
N,5-dimethyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 54929779
N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5-fluoropyridine-3-sulfonamide
CID 56806205
N-(4-cyano-5-methyl-1H-pyrazol-3-yl)pyridine-3-sulfonamide
CID 75499444
N-(2,5-dimethylpyrazol-3-yl)-4-methylpyridine-3-sulfonamide
CID 127267507
N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyridine-3-sulfonamide
CID 132395129
6-tert-butyl-N-(1-ethylpyrazol-3-yl)pyridine-3-sulfonamide
CID 136573761
N,3,5-trimethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-pyrazole-4-sulfonamide
CID 164633529

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide (CID 106598332) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide is CC(C)(C)c1cc(NS(=O)(=O)c2cccnc2C#N)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide?
The InChIKey is RPCAJRNYEFMXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-13(2,3)11-7-12(17-16-11)18-21(19,20)10-5-4-6-15-9(10)8-14/h4-7H,1-3H3,(H2,16,17,18).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106598332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).