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

C17H17N5O3S — CID 22315588

IUPAC1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea
SMILESCN(C(N)=O)c1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H17N5O3S/c1-21(17(18)23)16-11-15(12-5-3-2-4-6-12)22(20-16)13-7-9-14(10-8-13)26(19,24)25/h2-11H,1H3,(H2,18,23)(H2,19,24,25)
InChIKeyKNQFKXNCYKVFBZ-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.70
Rot. Bonds4

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

1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea (PubChem CID 22315588) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea
PubChem CID22315588
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea
SMILESCN(C(N)=O)c1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C17H17N5O3S/c1-21(17(18)23)16-11-15(12-5-3-2-4-6-12)22(20-16)13-7-9-14(10-8-13)26(19,24)25/h2-11H,1H3,(H2,18,23)(H2,19,24,25)
InChIKeyKNQFKXNCYKVFBZ-UHFFFAOYSA-N
XLogP1.70
TPSA124.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea?
The IUPAC name of 1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea (CID 22315588) is 1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea is CN(C(N)=O)c1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea?
The InChIKey is KNQFKXNCYKVFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-21(17(18)23)16-11-15(12-5-3-2-4-6-12)22(20-16)13-7-9-14(10-8-13)26(19,24)25/h2-11H,1H3,(H2,18,23)(H2,19,24,25).
What are the key properties of 1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea?
1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea has a molecular weight of 371.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea is sourced from PubChem (CID 22315588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).