N-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide

C10H19N3O2S — CID 22209301

IUPACN-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cnn(CC)c1C
InChIInChI=1S/C10H19N3O2S/c1-4-6-7-16(14,15)12-10-8-11-13(5-2)9(10)3/h8,12H,4-7H2,1-3H3
InChIKeyLFYPXEQXYHPBQK-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.75
Rot. Bonds6

About N-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide

N-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide (PubChem CID 22209301) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide
PubChem CID22209301
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cnn(CC)c1C
InChIInChI=1S/C10H19N3O2S/c1-4-6-7-16(14,15)12-10-8-11-13(5-2)9(10)3/h8,12H,4-7H2,1-3H3
InChIKeyLFYPXEQXYHPBQK-UHFFFAOYSA-N
XLogP1.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide?
The IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide (CID 22209301) is N-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cnn(CC)c1C.
What is the InChIKey of N-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide?
The InChIKey is LFYPXEQXYHPBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-4-6-7-16(14,15)12-10-8-11-13(5-2)9(10)3/h8,12H,4-7H2,1-3H3.
What are the key properties of N-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide?
N-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-methylpyrazol-4-yl)butane-1-sulfonamide is sourced from PubChem (CID 22209301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).