4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid

C16H14N4O4S — CID 67683758

IUPAC4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Cc2[nH]nc(C(=O)O)c2-c2ccncc2)cc1
InChIInChI=1S/C16H14N4O4S/c17-25(23,24)12-3-1-10(2-4-12)9-13-14(11-5-7-18-8-6-11)15(16(21)22)20-19-13/h1-8H,9H2,(H,19,20)(H,21,22)(H2,17,23,24)
InChIKeyBSLOKTHUJYQXIQ-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.41
Rot. Bonds5

About 4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid

4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 67683758) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is 4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid
PubChem CID67683758
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC Name4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Cc2[nH]nc(C(=O)O)c2-c2ccncc2)cc1
InChIInChI=1S/C16H14N4O4S/c17-25(23,24)12-3-1-10(2-4-12)9-13-14(11-5-7-18-8-6-11)15(16(21)22)20-19-13/h1-8H,9H2,(H,19,20)(H,21,22)(H2,17,23,24)
InChIKeyBSLOKTHUJYQXIQ-UHFFFAOYSA-N
XLogP1.41
TPSA139.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-4-phenyl-1H-pyrazole-3-carboxylic acid
CID 64592799
4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide
CID 67683899
4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid
CID 122194782
3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 110676548
3-[(4-hydroxyphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 159619556
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
(4-sulfamoylphenyl)methyl pyridine-4-carboxylate
CID 4114283
5-sulfamoyl-1H-indazole-3-carboxylic acid
CID 119086499
pyridine-4-carboxamide;4-sulfamoylbenzoic acid
CID 139186564
4-(pyridine-4-carbonyl)benzenesulfonamide
CID 23274879
2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4843397
4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
CID 19355817

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid (CID 67683758) is 4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid is NS(=O)(=O)c1ccc(Cc2[nH]nc(C(=O)O)c2-c2ccncc2)cc1.
What is the InChIKey of 4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is BSLOKTHUJYQXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c17-25(23,24)12-3-1-10(2-4-12)9-13-14(11-5-7-18-8-6-11)15(16(21)22)20-19-13/h1-8H,9H2,(H,19,20)(H,21,22)(H2,17,23,24).
What are the key properties of 4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid?
4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 358.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 67683758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).