1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea

C14H18N4O3S — CID 12530659

IUPAC1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C14H18N4O3S/c1-4-15-14(19)17-22(20,21)13-7-5-12(6-8-13)18-11(3)9-10(2)16-18/h5-9H,4H2,1-3H3,(H2,15,17,19)
InChIKeyQLUCARNVAGKKKJ-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.50
Rot. Bonds4

About 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea

1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea (PubChem CID 12530659) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea
PubChem CID12530659
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C14H18N4O3S/c1-4-15-14(19)17-22(20,21)13-7-5-12(6-8-13)18-11(3)9-10(2)16-18/h5-9H,4H2,1-3H3,(H2,15,17,19)
InChIKeyQLUCARNVAGKKKJ-UHFFFAOYSA-N
XLogP1.50
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonamide
CID 706169
4-{5-Phenyl-3-[3-(3-phenyl-ureido)-propyl]-pyrazol-1-yl}-benzenesulfonamide
CID 52951863
4-{3-[3-(3-Cycloheptyl-ureido)-propyl]-5-phenyl-pyrazol-1-yl}-benzenesulfonamide
CID 52951865
4-{[3-(3,5-Dimethyl-1h-Pyrazol-1-Yl)-3-Oxopropyl]amino}benzenesulfonamide
CID 86278564
N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]phenyl}acetamide
CID 659817
1-[4-(3,5-Dimethylpyrazol-1-yl)phenyl]sulfonyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 12530685
N-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
CID 1091854
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]benzenesulfonamide
CID 6499781
N-{4-[(ethylamino)sulfonyl]phenyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3244508
N-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfamoyl]phenyl}acetamide
CID 7762538
N-[4-(aminosulfonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 5210829
N-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 73349215

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea?
The IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea (CID 12530659) is 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea.
What is the SMILES notation for 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea?
The canonical SMILES for 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea is CCNC(=O)NS(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1.
What is the InChIKey of 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea?
The InChIKey is QLUCARNVAGKKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-4-15-14(19)17-22(20,21)13-7-5-12(6-8-13)18-11(3)9-10(2)16-18/h5-9H,4H2,1-3H3,(H2,15,17,19).
What are the key properties of 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea?
1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea has a molecular weight of 322.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethylurea is sourced from PubChem (CID 12530659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).