1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea

C21H24N4O3S — CID 161032789

IUPAC1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea
SMILESCCCS(=O)(=O)c1ccc(-c2ccccc2)c(NC(=O)Nc2ccn(CC)n2)c1
InChIInChI=1S/C21H24N4O3S/c1-3-14-29(27,28)17-10-11-18(16-8-6-5-7-9-16)19(15-17)22-21(26)23-20-12-13-25(4-2)24-20/h5-13,15H,3-4,14H2,1-2H3,(H2,22,23,24,26)
InChIKeyTZVOAIHTLICZRN-UHFFFAOYSA-N
MW412.52 g/mol
LogP4.40
Rot. Bonds7

About 1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea

1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea (PubChem CID 161032789) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea
PubChem CID161032789
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea
SMILESCCCS(=O)(=O)c1ccc(-c2ccccc2)c(NC(=O)Nc2ccn(CC)n2)c1
InChIInChI=1S/C21H24N4O3S/c1-3-14-29(27,28)17-10-11-18(16-8-6-5-7-9-16)19(15-17)22-21(26)23-20-12-13-25(4-2)24-20/h5-13,15H,3-4,14H2,1-2H3,(H2,22,23,24,26)
InChIKeyTZVOAIHTLICZRN-UHFFFAOYSA-N
XLogP4.40
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,5-dimethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea
CID 158610459
1-(3-fluoro-2-pyridinyl)-3-(2-phenyl-5-propylsulfonylphenyl)urea
CID 157344918
1-(2-phenyl-5-propylsulfonylphenyl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea
CID 160698394
2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide
CID 86800644
5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid
CID 21258337
1-(2,5-dimethylpyrazol-3-yl)-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 90145413
3-[(1-ethylpyrazol-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 114251038
1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea
CID 53017294
2,2-diethyl-4-[(1-ethylpyrazol-3-yl)amino]-4-oxobutanoic acid
CID 114250817
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
2-[2-(2-carboxyanilino)-4-propylsulfonylanilino]benzoic acid
CID 10389247
N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide
CID 130927400

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea (CID 161032789) is 1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea is CCCS(=O)(=O)c1ccc(-c2ccccc2)c(NC(=O)Nc2ccn(CC)n2)c1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea?
The InChIKey is TZVOAIHTLICZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-3-14-29(27,28)17-10-11-18(16-8-6-5-7-9-16)19(15-17)22-21(26)23-20-12-13-25(4-2)24-20/h5-13,15H,3-4,14H2,1-2H3,(H2,22,23,24,26).
What are the key properties of 1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea?
1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea has a molecular weight of 412.52 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea is sourced from PubChem (CID 161032789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).