5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide

C13H26N4O2S — CID 61110324

IUPAC5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide
SMILESCCCCCN(CCCCC)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C13H26N4O2S/c1-3-5-7-9-17(10-8-6-4-2)20(18,19)12-11-15-16-13(12)14/h11H,3-10H2,1-2H3,(H3,14,15,16)
InChIKeyPNWFDCSKQQLOFS-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.36
Rot. Bonds10

About 5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide

5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide (PubChem CID 61110324) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide
PubChem CID61110324
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC Name5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide
SMILESCCCCCN(CCCCC)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C13H26N4O2S/c1-3-5-7-9-17(10-8-6-4-2)20(18,19)12-11-15-16-13(12)14/h11H,3-10H2,1-2H3,(H3,14,15,16)
InChIKeyPNWFDCSKQQLOFS-UHFFFAOYSA-N
XLogP2.36
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide (CID 61110324) is 5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide is CCCCCN(CCCCC)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide?
The InChIKey is PNWFDCSKQQLOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-3-5-7-9-17(10-8-6-4-2)20(18,19)12-11-15-16-13(12)14/h11H,3-10H2,1-2H3,(H3,14,15,16).
What are the key properties of 5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide?
5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61110324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).