(1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate

C24H21N3O4S — CID 27270686

IUPAC(1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate
SMILESCS(=O)(=O)Nc1ccccc1C(=O)OCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H21N3O4S/c1-32(29,30)26-22-15-9-8-14-21(22)24(28)31-17-19-16-27(20-12-6-3-7-13-20)25-23(19)18-10-4-2-5-11-18/h2-16,26H,17H2,1H3
InChIKeyVPLWYXFLNJDHBS-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.27
Rot. Bonds7

About (1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate

(1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate (PubChem CID 27270686) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate
PubChem CID27270686
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name(1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate
SMILESCS(=O)(=O)Nc1ccccc1C(=O)OCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H21N3O4S/c1-32(29,30)26-22-15-9-8-14-21(22)24(28)31-17-19-16-27(20-12-6-3-7-13-20)25-23(19)18-10-4-2-5-11-18/h2-16,26H,17H2,1H3
InChIKeyVPLWYXFLNJDHBS-UHFFFAOYSA-N
XLogP4.27
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl 2-fluorobenzoate
CID 4661548
(1,3-diphenylpyrazol-4-yl)methyl 4-tert-butylbenzoate
CID 2119337
(1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate
CID 7700000
(1,3-diphenylpyrazol-4-yl)methyl 3-(dimethylsulfamoyl)benzoate
CID 2093367
(1,3-diphenylpyrazol-4-yl)methyl naphthalene-2-carboxylate
CID 7697736
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide
CID 42116246
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate
CID 24530422
(2-nitrophenyl)methyl 1,3-diphenylpyrazole-4-carboxylate
CID 3470522
(1,3-diphenylpyrazol-4-yl)methyl (2E,4E)-hexa-2,4-dienoate
CID 7700088
(1,3-diphenylpyrazol-4-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55392353
[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2093777
[2-(butylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2434472

Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate?
The IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate (CID 27270686) is (1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate.
What is the SMILES notation for (1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate?
The canonical SMILES for (1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate is CS(=O)(=O)Nc1ccccc1C(=O)OCc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate?
The InChIKey is VPLWYXFLNJDHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-32(29,30)26-22-15-9-8-14-21(22)24(28)31-17-19-16-27(20-12-6-3-7-13-20)25-23(19)18-10-4-2-5-11-18/h2-16,26H,17H2,1H3.
What are the key properties of (1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate?
(1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate has a molecular weight of 447.52 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate is sourced from PubChem (CID 27270686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).