3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide

C10H20N4O3S — CID 54922707

IUPAC3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCCOC)c(N)n1
InChIInChI=1S/C10H20N4O3S/c1-3-6-14-8-9(10(11)13-14)18(15,16)12-5-4-7-17-2/h8,12H,3-7H2,1-2H3,(H2,11,13)
InChIKeyAVGMPRLVGSCQOI-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.19
Rot. Bonds8

About 3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide

3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 54922707) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide
PubChem CID54922707
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC Name3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCCOC)c(N)n1
InChIInChI=1S/C10H20N4O3S/c1-3-6-14-8-9(10(11)13-14)18(15,16)12-5-4-7-17-2/h8,12H,3-7H2,1-2H3,(H2,11,13)
InChIKeyAVGMPRLVGSCQOI-UHFFFAOYSA-N
XLogP0.19
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide (CID 54922707) is 3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCCCOC)c(N)n1.
What is the InChIKey of 3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is AVGMPRLVGSCQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-3-6-14-8-9(10(11)13-14)18(15,16)12-5-4-7-17-2/h8,12H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of 3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of 0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methoxypropyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 54922707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).