N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide

C24H29N3O3S — CID 55555165

IUPACN-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc1
InChIInChI=1S/C24H29N3O3S/c1-18-10-12-20(13-11-18)31(29,30)15-14-23(28)25-22-16-21(24(2,3)4)26-27(22)17-19-8-6-5-7-9-19/h5-13,16H,14-15,17H2,1-4H3,(H,25,28)
InChIKeyHELYJCMPHZBSHN-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.34
Rot. Bonds7

About N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 55555165) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID55555165
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc1
InChIInChI=1S/C24H29N3O3S/c1-18-10-12-20(13-11-18)31(29,30)15-14-23(28)25-22-16-21(24(2,3)4)26-27(22)17-19-8-6-5-7-9-19/h5-13,16H,14-15,17H2,1-4H3,(H,25,28)
InChIKeyHELYJCMPHZBSHN-UHFFFAOYSA-N
XLogP4.34
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704768
7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide
CID 119704765
3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride
CID 119704784
N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 42109664
N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 112813566
N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 55555083
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78847394
1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(3-hydroxypropyl)urea
CID 110891167
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-(4-chlorophenyl)sulfonylpropanamide
CID 34077193
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 55555008
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride
CID 119704778
1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
CID 110891166

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide (CID 55555165) is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc1.
What is the InChIKey of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is HELYJCMPHZBSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-18-10-12-20(13-11-18)31(29,30)15-14-23(28)25-22-16-21(24(2,3)4)26-27(22)17-19-8-6-5-7-9-19/h5-13,16H,14-15,17H2,1-4H3,(H,25,28).
What are the key properties of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 439.58 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 55555165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).