1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea

C12H15N5O3S — CID 61132750

IUPAC1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2nn(C)cc2S(N)(=O)=O)cc1
InChIInChI=1S/C12H15N5O3S/c1-8-3-5-9(6-4-8)14-12(18)15-11-10(21(13,19)20)7-17(2)16-11/h3-7H,1-2H3,(H2,13,19,20)(H2,14,15,16,18)
InChIKeyFTWYWBQCFRZKBH-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.02
Rot. Bonds3

About 1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea

1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea (PubChem CID 61132750) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
PubChem CID61132750
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2nn(C)cc2S(N)(=O)=O)cc1
InChIInChI=1S/C12H15N5O3S/c1-8-3-5-9(6-4-8)14-12(18)15-11-10(21(13,19)20)7-17(2)16-11/h3-7H,1-2H3,(H2,13,19,20)(H2,14,15,16,18)
InChIKeyFTWYWBQCFRZKBH-UHFFFAOYSA-N
XLogP1.02
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132441
2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129233
2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 81111625
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)propanamide
CID 61131141
1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132638
1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-4-carboxamide
CID 61132038
1,5-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-3-carboxamide
CID 114219136
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyridine-4-carboxamide
CID 106753989
N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-3-carboxamide
CID 61131275
2-methoxy-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129046
3,5-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61131914
N-(1-methyl-4-sulfamoylpyrazol-3-yl)piperidine-1-carboxamide
CID 79155036

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea (CID 61132750) is 1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea is Cc1ccc(NC(=O)Nc2nn(C)cc2S(N)(=O)=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea?
The InChIKey is FTWYWBQCFRZKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-8-3-5-9(6-4-8)14-12(18)15-11-10(21(13,19)20)7-17(2)16-11/h3-7H,1-2H3,(H2,13,19,20)(H2,14,15,16,18).
What are the key properties of 1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea?
1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea has a molecular weight of 309.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea is sourced from PubChem (CID 61132750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).