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

C9H17N5O3S — CID 61132638

IUPAC1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
SMILESCCCCNC(=O)Nc1nn(C)cc1S(N)(=O)=O
InChIInChI=1S/C9H17N5O3S/c1-3-4-5-11-9(15)12-8-7(18(10,16)17)6-14(2)13-8/h6H,3-5H2,1-2H3,(H2,10,16,17)(H2,11,12,13,15)
InChIKeyHFGRKBQGSIYGLW-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.01
Rot. Bonds5

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

1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea (PubChem CID 61132638) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
PubChem CID61132638
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
SMILESCCCCNC(=O)Nc1nn(C)cc1S(N)(=O)=O
InChIInChI=1S/C9H17N5O3S/c1-3-4-5-11-9(15)12-8-7(18(10,16)17)6-14(2)13-8/h6H,3-5H2,1-2H3,(H2,10,16,17)(H2,11,12,13,15)
InChIKeyHFGRKBQGSIYGLW-UHFFFAOYSA-N
XLogP-0.01
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide
CID 107940637
1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132750
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)propanamide
CID 61131141
1-(4-fluorophenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132441
N-(1-methyl-4-sulfamoylpyrazol-3-yl)piperidine-1-carboxamide
CID 79155036
1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-4-carboxamide
CID 61132038
3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 107953731
1-butyl-3-(1-methylpyrazol-4-yl)urea
CID 115581879
1,5-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-3-carboxamide
CID 114219136
2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 81111625
N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-3-carboxamide
CID 61131275
N-(1-methyl-4-sulfamoylpyrazol-3-yl)morpholine-4-carboxamide
CID 79152077

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea?
The IUPAC name of 1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea (CID 61132638) is 1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea.
What is the SMILES notation for 1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea?
The canonical SMILES for 1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea is CCCCNC(=O)Nc1nn(C)cc1S(N)(=O)=O.
What is the InChIKey of 1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea?
The InChIKey is HFGRKBQGSIYGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-3-4-5-11-9(15)12-8-7(18(10,16)17)6-14(2)13-8/h6H,3-5H2,1-2H3,(H2,10,16,17)(H2,11,12,13,15).
What are the key properties of 1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea?
1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea has a molecular weight of 275.33 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea is sourced from PubChem (CID 61132638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).