1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea

C18H19N5O5S — CID 87973346

IUPAC1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea
SMILESCOc1ccc(-c2cc(CN(O)C(N)=O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H19N5O5S/c1-28-15-6-2-12(3-7-15)17-10-13(11-22(25)18(19)24)21-23(17)14-4-8-16(9-5-14)29(20,26)27/h2-10,25H,11H2,1H3,(H2,19,24)(H2,20,26,27)
InChIKeyMDEGHWBNNRZBBW-UHFFFAOYSA-N
MW417.45 g/mol
LogP1.47
Rot. Bonds6

About 1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea

1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea (PubChem CID 87973346) has the molecular formula C18H19N5O5S and a molecular weight of 417.45 g/mol. Its IUPAC name is 1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea
PubChem CID87973346
Molecular FormulaC18H19N5O5S
Molecular Weight417.45 g/mol
Exact Mass417.11
IUPAC Name1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea
SMILESCOc1ccc(-c2cc(CN(O)C(N)=O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H19N5O5S/c1-28-15-6-2-12(3-7-15)17-10-13(11-22(25)18(19)24)21-23(17)14-4-8-16(9-5-14)29(20,26)27/h2-10,25H,11H2,1H3,(H2,19,24)(H2,20,26,27)
InChIKeyMDEGHWBNNRZBBW-UHFFFAOYSA-N
XLogP1.47
TPSA153.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
CID 139817988
1-[[5-(3-chloro-4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-1-hydroxyurea
CID 87973466
4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
CID 162670996
5-(4-methoxyphenyl)-N-methyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315479
1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 10523251
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
1-hydroxy-1-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]urea
CID 22959188
2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid
CID 12052546
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

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea?
The IUPAC name of 1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea (CID 87973346) is 1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea?
The canonical SMILES for 1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea is COc1ccc(-c2cc(CN(O)C(N)=O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea?
The InChIKey is MDEGHWBNNRZBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5S/c1-28-15-6-2-12(3-7-15)17-10-13(11-22(25)18(19)24)21-23(17)14-4-8-16(9-5-14)29(20,26)27/h2-10,25H,11H2,1H3,(H2,19,24)(H2,20,26,27).
What are the key properties of 1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea?
1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea has a molecular weight of 417.45 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea is sourced from PubChem (CID 87973346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).