N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide

C19H20N4O4S — CID 50751622

IUPACN-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCNS(=O)(=O)c1cc(-c2cc(C(=O)NCc3ccccc3)[nH]n2)ccc1OC
InChIInChI=1S/C19H20N4O4S/c1-20-28(25,26)18-10-14(8-9-17(18)27-2)15-11-16(23-22-15)19(24)21-12-13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFTIDECVLNCPXHX-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.92
Rot. Bonds7

About N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide

N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 50751622) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID50751622
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCNS(=O)(=O)c1cc(-c2cc(C(=O)NCc3ccccc3)[nH]n2)ccc1OC
InChIInChI=1S/C19H20N4O4S/c1-20-28(25,26)18-10-14(8-9-17(18)27-2)15-11-16(23-22-15)19(24)21-12-13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFTIDECVLNCPXHX-UHFFFAOYSA-N
XLogP1.92
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 50751661
N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751774
3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1S,2S)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide
CID 92736758
3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(1R,2R)-2-methylcyclohexyl]-1H-pyrazole-5-carboxamide
CID 92736759
3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50751822
3-(3,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918354
methyl 5-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]methyl]-2-methoxybenzoate
CID 86930860
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 40705938
N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 46270303
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide (CID 50751622) is N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide is CNS(=O)(=O)c1cc(-c2cc(C(=O)NCc3ccccc3)[nH]n2)ccc1OC.
What is the InChIKey of N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FTIDECVLNCPXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-20-28(25,26)18-10-14(8-9-17(18)27-2)15-11-16(23-22-15)19(24)21-12-13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50751622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).