N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

C19H19N3O5S — CID 19509906

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c1
InChIInChI=1S/C19H19N3O5S/c1-3-28(25,26)14-7-8-18(23)16(10-14)20-19(24)17-11-15(21-22-17)12-5-4-6-13(9-12)27-2/h4-11,23H,3H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyYDZUWXZEJVSRKZ-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.84
Rot. Bonds6

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19509906) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19509906
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c1
InChIInChI=1S/C19H19N3O5S/c1-3-28(25,26)14-7-8-18(23)16(10-14)20-19(24)17-11-15(21-22-17)12-5-4-6-13(9-12)27-2/h4-11,23H,3H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyYDZUWXZEJVSRKZ-UHFFFAOYSA-N
XLogP2.84
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509699
methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate
CID 19341664
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1185189
3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
CID 70776702
N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803302
N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46523475
N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide
CID 31618688
1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 21184626
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920150
3-(3-methoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856863
3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide
CID 35978682

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19509906) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YDZUWXZEJVSRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-3-28(25,26)14-7-8-18(23)16(10-14)20-19(24)17-11-15(21-22-17)12-5-4-6-13(9-12)27-2/h4-11,23H,3H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).