1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea

C13H17N5O3S — CID 51084254

IUPAC1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCNS(=O)(=O)c1ccc(CNC(=O)NCc2ccn[nH]2)cc1
InChIInChI=1S/C13H17N5O3S/c1-14-22(20,21)12-4-2-10(3-5-12)8-15-13(19)16-9-11-6-7-17-18-11/h2-7,14H,8-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyKTYYJNSBNOOBRJ-UHFFFAOYSA-N
MW323.38 g/mol
LogP0.32
Rot. Bonds6

About 1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea

1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 51084254) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is 1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID51084254
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Name1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCNS(=O)(=O)c1ccc(CNC(=O)NCc2ccn[nH]2)cc1
InChIInChI=1S/C13H17N5O3S/c1-14-22(20,21)12-4-2-10(3-5-12)8-15-13(19)16-9-11-6-7-17-18-11/h2-7,14H,8-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyKTYYJNSBNOOBRJ-UHFFFAOYSA-N
XLogP0.32
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11452717, Example 599
CID 135222681
N-{4-[3-(1H-Pyrazol-4-ylmethyl)-ureido]-phenyl}-benzenesulfonamide
CID 135222882
1-[(4-methylsulfonylphenyl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47252542
1-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 49253811
1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 53503383
1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 53516101
1-(1-Pyrazol-1-ylpropan-2-yl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 53518822
1-[(4-methylsulfonylphenyl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 71892972
4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 110270738
1-(2-Methylbenzenesulfonyl)-2-(2H-pyrazol-3-YL)piperidine
CID 118741478
Spc 5002
CID 128886
N-Cyclobutylmethyl-4-[3-(1H-pyrazol-4-ylmethyl)-ureido]-benzenesulfonamide
CID 135223289

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea (CID 51084254) is 1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea is CNS(=O)(=O)c1ccc(CNC(=O)NCc2ccn[nH]2)cc1.
What is the InChIKey of 1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is KTYYJNSBNOOBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-14-22(20,21)12-4-2-10(3-5-12)8-15-13(19)16-9-11-6-7-17-18-11/h2-7,14H,8-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea?
1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 323.38 g/mol, XLogP of 0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 51084254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).