N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide

C19H20N4O5S — CID 50751701

IUPACN-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2ccc(OC)c(S(N)(=O)=O)c2)n[nH]1
InChIInChI=1S/C19H20N4O5S/c1-3-28-16-7-5-4-6-13(16)21-19(24)15-11-14(22-23-15)12-8-9-17(27-2)18(10-12)29(20,25)26/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyWNPUXAMVXJBFJR-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.38
Rot. Bonds7

About N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide

N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 50751701) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID50751701
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC NameN-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2ccc(OC)c(S(N)(=O)=O)c2)n[nH]1
InChIInChI=1S/C19H20N4O5S/c1-3-28-16-7-5-4-6-13(16)21-19(24)15-11-14(22-23-15)12-8-9-17(27-2)18(10-12)29(20,25)26/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyWNPUXAMVXJBFJR-UHFFFAOYSA-N
XLogP2.38
TPSA136.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 50751687
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
N-(4-methoxy-3-sulfamoylphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889356
3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 50751814
N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110295452
N-[5-[5-(aminomethyl)-1H-pyrazol-3-yl]-2-ethoxyphenyl]acetamide
CID 96669522
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856817
N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 50751622
4-[2-(benzylamino)pyrimidin-5-yl]-N-(2-ethoxyphenyl)benzamide
CID 53108666
N-(2-ethoxyphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9192356
N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751739
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (CID 50751701) is N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is CCOc1ccccc1NC(=O)c1cc(-c2ccc(OC)c(S(N)(=O)=O)c2)n[nH]1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WNPUXAMVXJBFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-3-28-16-7-5-4-6-13(16)21-19(24)15-11-14(22-23-15)12-8-9-17(27-2)18(10-12)29(20,25)26/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26).
What are the key properties of N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50751701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).