1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide

C14H19N3O2S — CID 6470517

IUPAC1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnn(CC)c1)c1ccccc1
InChIInChI=1S/C14H19N3O2S/c1-3-14(12-8-6-5-7-9-12)16-20(18,19)13-10-15-17(4-2)11-13/h5-11,14,16H,3-4H2,1-2H3
InChIKeyCGSOZUXIDQKRRJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.33
Rot. Bonds6

About 1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide

1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide (PubChem CID 6470517) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide
PubChem CID6470517
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnn(CC)c1)c1ccccc1
InChIInChI=1S/C14H19N3O2S/c1-3-14(12-8-6-5-7-9-12)16-20(18,19)13-10-15-17(4-2)11-13/h5-11,14,16H,3-4H2,1-2H3
InChIKeyCGSOZUXIDQKRRJ-UHFFFAOYSA-N
XLogP2.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide (CID 6470517) is 1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide is CCC(NS(=O)(=O)c1cnn(CC)c1)c1ccccc1.
What is the InChIKey of 1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide?
The InChIKey is CGSOZUXIDQKRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-14(12-8-6-5-7-9-12)16-20(18,19)13-10-15-17(4-2)11-13/h5-11,14,16H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide?
1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-phenylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 6470517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).