N-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide

C10H16N4O2S — CID 86799058

IUPACN-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nn(C(C)(C)C)cc1C#N
InChIInChI=1S/C10H16N4O2S/c1-5-17(15,16)13-9-8(6-11)7-14(12-9)10(2,3)4/h7H,5H2,1-4H3,(H,12,13)
InChIKeyTXQOOHWSLDMANX-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.27
Rot. Bonds3

About N-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide

N-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide (PubChem CID 86799058) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide
PubChem CID86799058
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nn(C(C)(C)C)cc1C#N
InChIInChI=1S/C10H16N4O2S/c1-5-17(15,16)13-9-8(6-11)7-14(12-9)10(2,3)4/h7H,5H2,1-4H3,(H,12,13)
InChIKeyTXQOOHWSLDMANX-UHFFFAOYSA-N
XLogP1.27
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide?
The IUPAC name of N-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide (CID 86799058) is N-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide?
The canonical SMILES for N-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide is CCS(=O)(=O)Nc1nn(C(C)(C)C)cc1C#N.
What is the InChIKey of N-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide?
The InChIKey is TXQOOHWSLDMANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-5-17(15,16)13-9-8(6-11)7-14(12-9)10(2,3)4/h7H,5H2,1-4H3,(H,12,13).
What are the key properties of N-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide?
N-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-4-cyanopyrazol-3-yl)ethanesulfonamide is sourced from PubChem (CID 86799058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).