3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide

C19H20N4O4S — CID 50751661

IUPAC3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccc(C)cc3)[nH]n2)cc1S(N)(=O)=O
InChIInChI=1S/C19H20N4O4S/c1-12-3-5-13(6-4-12)11-21-19(24)16-10-15(22-23-16)14-7-8-17(27-2)18(9-14)28(20,25)26/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyOLYGXFGDCOAOMN-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.97
Rot. Bonds6

About 3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide

3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 50751661) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID50751661
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccc(C)cc3)[nH]n2)cc1S(N)(=O)=O
InChIInChI=1S/C19H20N4O4S/c1-12-3-5-13(6-4-12)11-21-19(24)16-10-15(22-23-16)14-7-8-17(27-2)18(9-14)28(20,25)26/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyOLYGXFGDCOAOMN-UHFFFAOYSA-N
XLogP1.97
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 50751622
3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 50751687
N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751774
N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 50751701
3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 50751814
methyl 5-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]methyl]-2-methoxybenzoate
CID 86930860
N-(4-methoxy-3-sulfamoylphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889356
3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50751822
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918258
3-(3,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918354
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 46270303

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 50751661) is 3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccc(C)cc3)[nH]n2)cc1S(N)(=O)=O.
What is the InChIKey of 3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is OLYGXFGDCOAOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-12-3-5-13(6-4-12)11-21-19(24)16-10-15(22-23-16)14-7-8-17(27-2)18(9-14)28(20,25)26/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26).
What are the key properties of 3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50751661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).