3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide

C12H24N4O2S — CID 54922420

IUPAC3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1cn(CCC)nc1N
InChIInChI=1S/C12H24N4O2S/c1-4-7-9-16(6-3)19(17,18)11-10-15(8-5-2)14-12(11)13/h10H,4-9H2,1-3H3,(H2,13,14)
InChIKeyBCNVAEBLGVVLCJ-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.69
Rot. Bonds8

About 3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide

3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide (PubChem CID 54922420) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide
PubChem CID54922420
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1cn(CCC)nc1N
InChIInChI=1S/C12H24N4O2S/c1-4-7-9-16(6-3)19(17,18)11-10-15(8-5-2)14-12(11)13/h10H,4-9H2,1-3H3,(H2,13,14)
InChIKeyBCNVAEBLGVVLCJ-UHFFFAOYSA-N
XLogP1.69
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide (CID 54922420) is 3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide is CCCCN(CC)S(=O)(=O)c1cn(CCC)nc1N.
What is the InChIKey of 3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide?
The InChIKey is BCNVAEBLGVVLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-4-7-9-16(6-3)19(17,18)11-10-15(8-5-2)14-12(11)13/h10H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide?
3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 54922420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).