N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide

C20H22N4O4S — CID 53115660

IUPACN-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N4O4S/c1-3-14-4-6-15(7-5-14)12-21-19(25)18-13-22-23-20(18)29(26,27)24-16-8-10-17(28-2)11-9-16/h4-11,13,24H,3,12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyMLIWEYVZXRLEIP-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.71
Rot. Bonds8

About N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide

N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (PubChem CID 53115660) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
PubChem CID53115660
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N4O4S/c1-3-14-4-6-15(7-5-14)12-21-19(25)18-13-22-23-20(18)29(26,27)24-16-8-10-17(28-2)11-9-16/h4-11,13,24H,3,12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyMLIWEYVZXRLEIP-UHFFFAOYSA-N
XLogP2.71
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 171146148
N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115668
N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115664
N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115672
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate
CID 53115536
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115538
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824423
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687
6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120300
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (CID 53115660) is N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is CCc1ccc(CNC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The InChIKey is MLIWEYVZXRLEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-3-14-4-6-15(7-5-14)12-21-19(25)18-13-22-23-20(18)29(26,27)24-16-8-10-17(28-2)11-9-16/h4-11,13,24H,3,12H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).