1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea

C14H19N5O3S — CID 53499866

IUPAC1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea
SMILESCCn1cc(NC(=O)NCc2cccc(S(=O)(=O)NC)c2)cn1
InChIInChI=1S/C14H19N5O3S/c1-3-19-10-12(9-17-19)18-14(20)16-8-11-5-4-6-13(7-11)23(21,22)15-2/h4-7,9-10,15H,3,8H2,1-2H3,(H2,16,18,20)
InChIKeyMDDAQWVWPZYAKI-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.13
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea

1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea (PubChem CID 53499866) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea
PubChem CID53499866
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea
SMILESCCn1cc(NC(=O)NCc2cccc(S(=O)(=O)NC)c2)cn1
InChIInChI=1S/C14H19N5O3S/c1-3-19-10-12(9-17-19)18-14(20)16-8-11-5-4-6-13(7-11)23(21,22)15-2/h4-7,9-10,15H,3,8H2,1-2H3,(H2,16,18,20)
InChIKeyMDDAQWVWPZYAKI-UHFFFAOYSA-N
XLogP1.13
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 19326785
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea
CID 55808225
1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea
CID 43543950
1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
CID 34640881
1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55851572
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
N-[[3-(methylsulfamoyl)phenyl]methyl]azepane-1-carboxamide
CID 51084559
2-methyl-1-[[3-(methylsulfamoyl)phenyl]methyl]guanidine
CID 110915238
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea
CID 55934144
1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
CID 51970987

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea (CID 53499866) is 1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea is CCn1cc(NC(=O)NCc2cccc(S(=O)(=O)NC)c2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea?
The InChIKey is MDDAQWVWPZYAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-3-19-10-12(9-17-19)18-14(20)16-8-11-5-4-6-13(7-11)23(21,22)15-2/h4-7,9-10,15H,3,8H2,1-2H3,(H2,16,18,20).
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea?
1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea has a molecular weight of 337.41 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea is sourced from PubChem (CID 53499866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).