2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide

C18H18N4O4S — CID 139817988

IUPAC2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
SMILESCOc1ccc(-c2cc(CC(N)=O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H18N4O4S/c1-26-15-6-2-12(3-7-15)17-10-13(11-18(19)23)21-22(17)14-4-8-16(9-5-14)27(20,24)25/h2-10H,11H2,1H3,(H2,19,23)(H2,20,24,25)
InChIKeyLFTSXFRMPNXHOQ-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.22
Rot. Bonds6

About 2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide

2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide (PubChem CID 139817988) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
PubChem CID139817988
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
SMILESCOc1ccc(-c2cc(CC(N)=O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H18N4O4S/c1-26-15-6-2-12(3-7-15)17-10-13(11-18(19)23)21-22(17)14-4-8-16(9-5-14)27(20,24)25/h2-10H,11H2,1H3,(H2,19,23)(H2,20,24,25)
InChIKeyLFTSXFRMPNXHOQ-UHFFFAOYSA-N
XLogP1.22
TPSA130.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea
CID 87973346
4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
CID 162670996
5-(4-methoxyphenyl)-N-methyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315479
2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid
CID 12052546
1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 10523251
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
1-[[5-(3-chloro-4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-1-hydroxyurea
CID 87973466
4-[5-(3,5-dichloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315586
3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol
CID 10251337
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10316466
ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
CID 11222871

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide (CID 139817988) is 2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide is COc1ccc(-c2cc(CC(N)=O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is LFTSXFRMPNXHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-26-15-6-2-12(3-7-15)17-10-13(11-18(19)23)21-22(17)14-4-8-16(9-5-14)27(20,24)25/h2-10H,11H2,1H3,(H2,19,23)(H2,20,24,25).
What are the key properties of 2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide?
2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 386.43 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 139817988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).