3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide

C17H17N5O3S — CID 110676548

IUPAC3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccncc3)n[nH]2)cc1
InChIInChI=1S/C17H17N5O3S/c18-26(24,25)14-3-1-12(2-4-14)5-10-20-17(23)16-11-15(21-22-16)13-6-8-19-9-7-13/h1-4,6-9,11H,5,10H2,(H,20,23)(H,21,22)(H2,18,24,25)
InChIKeyREXQBAHJKSFZEL-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.09
Rot. Bonds6

About 3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide

3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 110676548) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID110676548
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccncc3)n[nH]2)cc1
InChIInChI=1S/C17H17N5O3S/c18-26(24,25)14-3-1-12(2-4-14)5-10-20-17(23)16-11-15(21-22-16)13-6-8-19-9-7-13/h1-4,6-9,11H,5,10H2,(H,20,23)(H,21,22)(H2,18,24,25)
InChIKeyREXQBAHJKSFZEL-UHFFFAOYSA-N
XLogP1.09
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 46920467
2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide
CID 110332104
3-phenyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 57383723
2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4843397
N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide
CID 63079423
3-pyridin-4-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide
CID 74236471
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235
2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 10136336
3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 45030518
1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989235
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide (CID 110676548) is 3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccncc3)n[nH]2)cc1.
What is the InChIKey of 3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is REXQBAHJKSFZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c18-26(24,25)14-3-1-12(2-4-14)5-10-20-17(23)16-11-15(21-22-16)13-6-8-19-9-7-13/h1-4,6-9,11H,5,10H2,(H,20,23)(H,21,22)(H2,18,24,25).
What are the key properties of 3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110676548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).