N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide

C13H16N4O3S — CID 63079423

IUPACN-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C13H16N4O3S/c14-21(19,20)11-5-3-10(4-6-11)2-1-8-15-13(18)12-7-9-16-17-12/h3-7,9H,1-2,8H2,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyAVLJLTDNIPXHCK-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.42
Rot. Bonds6

About N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide

N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 63079423) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide
PubChem CID63079423
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C13H16N4O3S/c14-21(19,20)11-5-3-10(4-6-11)2-1-8-15-13(18)12-7-9-16-17-12/h3-7,9H,1-2,8H2,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyAVLJLTDNIPXHCK-UHFFFAOYSA-N
XLogP0.42
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1H-pyrazole-5-carbonylamino)ethyl]benzenesulfonyl chloride
CID 63084257
N-(2-sulfamoylethyl)-1H-pyrazole-5-carboxamide
CID 61067022
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293759
3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 110676548
2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293770
N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 167894879
2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293779
3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60906071
3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 46920467
N-[3-(4-sulfamoylphenyl)propyl]cyclobutanecarboxamide
CID 60905854
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide (CID 63079423) is N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide is NS(=O)(=O)c1ccc(CCCNC(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is AVLJLTDNIPXHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c14-21(19,20)11-5-3-10(4-6-11)2-1-8-15-13(18)12-7-9-16-17-12/h3-7,9H,1-2,8H2,(H,15,18)(H,16,17)(H2,14,19,20).
What are the key properties of N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide?
N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63079423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).