1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea

C16H20FN5O3S — CID 154860497

IUPAC1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea
SMILESCNS(=O)(=O)c1cc(NC(=O)Nc2cc(C3CCCC3)[nH]n2)ccc1F
InChIInChI=1S/C16H20FN5O3S/c1-18-26(24,25)14-8-11(6-7-12(14)17)19-16(23)20-15-9-13(21-22-15)10-4-2-3-5-10/h6-10,18H,2-5H2,1H3,(H3,19,20,21,22,23)
InChIKeyJAWCEJBFFCBKBY-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.76
Rot. Bonds5

About 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea

1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea (PubChem CID 154860497) has the molecular formula C16H20FN5O3S and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea
PubChem CID154860497
Molecular FormulaC16H20FN5O3S
Molecular Weight381.43 g/mol
Exact Mass381.13
IUPAC Name1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea
SMILESCNS(=O)(=O)c1cc(NC(=O)Nc2cc(C3CCCC3)[nH]n2)ccc1F
InChIInChI=1S/C16H20FN5O3S/c1-18-26(24,25)14-8-11(6-7-12(14)17)19-16(23)20-15-9-13(21-22-15)10-4-2-3-5-10/h6-10,18H,2-5H2,1H3,(H3,19,20,21,22,23)
InChIKeyJAWCEJBFFCBKBY-UHFFFAOYSA-N
XLogP2.76
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide
CID 166220793
2-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoylamino]anilino]acetamide
CID 22464196
1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(methylsulfamoyl)phenyl]urea
CID 126767720
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide
CID 22176952
N-(5-cyclopentyl-1H-pyrazol-3-yl)-6-methylpyridine-3-carboxamide
CID 174055179
N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 128766710
N-(5-cycloheptyl-1H-pyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119329584
2-(4-aminophenyl)-N-(5-cyclopentyl-1H-pyrazol-3-yl)acetamide
CID 18423577
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-methylpyrazole-3-carboxamide
CID 174055169
(2R)-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-pyridin-3-ylpropanamide
CID 164630164
N-(5-cycloheptyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 119329603
N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 78788592

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea?
The IUPAC name of 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea (CID 154860497) is 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea is CNS(=O)(=O)c1cc(NC(=O)Nc2cc(C3CCCC3)[nH]n2)ccc1F.
What is the InChIKey of 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea?
The InChIKey is JAWCEJBFFCBKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O3S/c1-18-26(24,25)14-8-11(6-7-12(14)17)19-16(23)20-15-9-13(21-22-15)10-4-2-3-5-10/h6-10,18H,2-5H2,1H3,(H3,19,20,21,22,23).
What are the key properties of 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea?
1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea has a molecular weight of 381.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea is sourced from PubChem (CID 154860497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).