1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea

C18H19N5O3S — CID 55746519

IUPAC1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCC(NC(=O)Nc1cccc(-n2cccn2)c1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H19N5O3S/c1-13(14-6-8-17(9-7-14)27(19,25)26)21-18(24)22-15-4-2-5-16(12-15)23-11-3-10-20-23/h2-13H,1H3,(H2,19,25,26)(H2,21,22,24)
InChIKeyJEJSZSOHIPBRBO-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.40
Rot. Bonds5

About 1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea

1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 55746519) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
PubChem CID55746519
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCC(NC(=O)Nc1cccc(-n2cccn2)c1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H19N5O3S/c1-13(14-6-8-17(9-7-14)27(19,25)26)21-18(24)22-15-4-2-5-16(12-15)23-11-3-10-20-23/h2-13H,1H3,(H2,19,25,26)(H2,21,22,24)
InChIKeyJEJSZSOHIPBRBO-UHFFFAOYSA-N
XLogP2.40
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
CID 52504623
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 55746233
1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 95904281
1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 51945151
1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 24612359
1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56567767
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3-sulfamoylphenyl)urea
CID 47065590
1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696466
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea (CID 55746519) is 1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea is CC(NC(=O)Nc1cccc(-n2cccn2)c1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is JEJSZSOHIPBRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-13(14-6-8-17(9-7-14)27(19,25)26)21-18(24)22-15-4-2-5-16(12-15)23-11-3-10-20-23/h2-13H,1H3,(H2,19,25,26)(H2,21,22,24).
What are the key properties of 1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 385.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 55746519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).